data_1iqo_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 1iqo _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 2' ' ' PHE . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.796 0.332 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.25 135.07 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.7 95.01 4.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 p -134.03 142.04 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.28 109.42 10.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -103.57 140.12 37.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.75 148.62 20.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.402 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.7 mt -108.27 92.91 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.988 0.423 . . . . 0.0 111.201 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.491 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 3.6 m-85 -89.38 119.55 29.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.7 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 p -143.65 162.71 35.23 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.599 0.714 . . . . 0.0 112.355 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 45.35 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.805 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -72.51 -18.41 61.66 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.592 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.08 15.47 8.67 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.637 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.591 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -59.27 -31.02 8.63 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 33.3 Cg_exo -62.06 64.57 0.12 Allowed 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.345 2.03 . . . . 0.0 112.934 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 16' ' ' PRO . 10.7 mt-10 -20.64 97.29 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.931 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 0.6 OUTLIER 79.87 -62.36 0.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.182 -179.698 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 4.6 m-85 -171.43 37.95 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.586 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -112.97 76.64 2.33 Favored Pre-proline 0 C--N 1.33 -0.263 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.46 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.3 55.72 5.48 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.617 2.212 . . . . 0.0 112.388 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -74.0 -68.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.41 HG23 HD11 ' A' ' 15' ' ' LEU . 3.5 m -62.31 -13.81 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.774 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -46.26 -30.11 1.89 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.869 0.366 . . . . 0.0 110.966 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -61.11 -34.8 75.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.13 79.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.43 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.756 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.03 18.12 11.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.573 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.47 HD11 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.54 -20.63 33.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.786 0.327 . . . . 0.0 111.458 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 16.5 tt0 -179.73 45.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.43 46.12 7.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.775 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -68.65 -168.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -59.45 127.83 34.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.2 mt -144.71 54.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -100.22 39.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.65 22.52 6.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.15 24.86 5.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.901 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.7 86.8 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -97.62 125.68 42.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.312 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.17 129.63 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.67 123.99 35.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.5 mt -118.8 120.67 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.44 127.26 68.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 p -107.02 121.68 44.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.781 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.0 pt -120.15 179.37 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 65.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.89 50.82 0.79 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.75 43.94 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.035 0.445 . . . . 0.0 110.758 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 66.38 67.39 0.45 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.6 m -163.92 -174.26 3.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -158.68 -178.51 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -142.35 160.28 40.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.2 168.19 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.16 114.16 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -71.59 132.1 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.715 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.41 135.47 53.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.9 m -99.71 -33.98 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.751 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -166.17 114.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -110.05 -24.78 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -73.2 103.02 3.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 t -167.87 -81.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 p -163.62 177.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.058 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.94 -25.92 0.12 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -41.79 -32.36 0.39 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.492 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.5 -20.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.721 0.296 . . . . 0.0 111.33 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.7 ttm-85 -57.91 -51.52 69.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.891 0.377 . . . . 0.0 110.709 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -76.67 -31.61 57.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.672 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.86 -36.92 85.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tp -78.78 -39.05 36.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.687 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.16 -43.89 78.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.999 0.428 . . . . 0.0 110.555 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.86 -45.8 63.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.252 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.11 -24.33 25.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.061 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.96 -37.17 16.58 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.596 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.94 72.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.824 0.345 . . . . 0.0 111.387 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -100.0 -168.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.776 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.9 tp -86.21 -44.83 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.802 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -85.7 -88.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.257 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 57.06 175.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.794 0.33 . . . . 0.0 110.968 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.52 30.89 19.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -100.77 -27.67 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp 77.27 -0.46 2.88 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.576 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -61.72 1.93 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.729 0.3 . . . . 0.0 110.669 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 pt -54.81 -29.92 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.445 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.92 -36.91 78.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.063 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -29.83 70.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.46 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.99 -27.21 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.425 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.1 -52.17 4.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.869 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.684 0.278 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 mm -74.88 140.51 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.37 93.43 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -98.57 74.36 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.596 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.54 153.09 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.66 75.92 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.16 107.52 2.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 pt -73.13 82.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 111.374 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.46 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 2.2 m-30 -69.94 135.34 49.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.448 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' A' ' 15' ' ' LEU . 64.7 p -138.56 146.78 42.26 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.762 0.792 . . . . 0.0 112.798 -178.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 15' ' ' LEU . 0.6 OUTLIER 41.38 -164.31 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.701 179.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -21.07 64.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.294 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.431 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -86.7 14.36 7.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.371 . . . . 0.0 110.96 179.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 1.3 pt? -68.11 -18.63 0.43 Allowed Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 3.8 Cg_exo -79.23 53.82 4.89 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 121.729 1.619 . . . . 0.0 112.52 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.69 80.83 1.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.714 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -178.41 -31.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.457 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -166.52 -79.33 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.175 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.18 172.46 5.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.964 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HA ' ' CG ' ' A' ' 16' ' ' PRO . 85.5 Cg_exo -45.62 92.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.677 2.252 . . . . 0.0 112.692 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 23.1 t80 -85.78 -75.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -62.38 -14.29 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.256 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -47.24 -28.3 1.86 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.981 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 3.6 p90 -62.09 -33.48 74.51 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.778 0.323 . . . . 0.0 110.402 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 20.5 tttt -79.78 -28.92 40.26 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.25 -21.87 53.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.348 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.64 36.03 1.74 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.352 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' TYR . 1.4 pt? -47.96 -24.46 1.06 Allowed 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 1.2 tt0 -158.02 69.14 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.426 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 47.96 43.24 17.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.279 0.561 . . . . 0.0 110.784 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -74.38 4.14 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.768 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 76.64 132.01 0.05 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.9 0.381 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 2.0 mm? -100.22 108.7 20.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.17 174.62 7.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -108.87 -26.38 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -86.87 -15.63 38.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.308 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.31 157.12 2.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.874 0.368 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -151.79 148.24 27.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.4 mm -131.88 147.98 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.32 115.83 25.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.194 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mm -109.02 101.83 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mm -98.02 142.89 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.477 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -139.8 147.74 41.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.445 ' CG1' ' HB2' ' A' ' 51' ' ' ASN . 0.8 OUTLIER -155.24 164.4 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.651 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.09 67.83 0.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.155 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.49 14.59 59.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.468 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m 75.99 2.54 3.65 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 179.58 61.99 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.739 0.304 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m 65.24 -163.95 0.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.601 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.477 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 44.8 t30 -130.3 -104.51 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.425 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.486 ' CE1' ' CD2' ' A' ' 78' ' ' HIS . 5.0 p-80 -151.6 170.03 20.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.834 0.35 . . . . 0.0 111.15 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.06 150.29 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.94 148.41 52.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -101.37 108.54 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -85.99 91.79 8.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.7 p -66.89 -50.69 61.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.22 106.93 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.43 ' CE1' ' HB ' ' A' ' 65' ' ' ILE . 76.2 t80 -62.43 144.07 56.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 14.0 m120 -90.13 -160.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.753 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.5 t -133.84 -44.92 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.3 . . . . 0.0 111.063 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.6 m -52.55 168.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.346 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.82 -20.65 52.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -53.82 -24.01 14.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 111.039 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.43 ' HB ' ' CE1' ' A' ' 59' ' ' TYR . 2.5 pp -55.99 -41.91 69.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.444 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -38.77 35.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -58.22 -50.08 74.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.182 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -60.42 -51.45 69.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.08 -58.67 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.219 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.18 -33.37 8.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.26 -43.9 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.337 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.27 -24.44 46.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.121 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.66 -65.67 3.41 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.382 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.55 28.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.041 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.24 -77.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.167 0.508 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.9 mm -67.04 159.9 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.137 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.35 -22.43 61.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.486 ' CD2' ' CE1' ' A' ' 52' ' ' HIS . 56.7 t-80 63.94 165.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 78' ' ' HIS . 4.5 t 56.93 137.69 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.585 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 168.64 -31.22 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.782 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 mt 70.79 2.5 4.19 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.762 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -86.17 -45.65 11.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 110.515 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.4 pt -61.0 -32.55 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.426 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.401 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 3.9 mp -69.31 -45.51 69.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.804 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.87 -20.39 66.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.372 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.4 -32.21 25.8 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.826 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -169.15 65.04 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.823 0.344 . . . . 0.0 111.297 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.401 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 7.9 tp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.013 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.6 t80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.1 mm 65.59 68.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.18 88.13 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -97.96 165.7 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -155.53 171.32 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.616 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.59 140.71 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 111.175 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.65 115.69 5.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.248 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.8 mt -94.43 109.85 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 111.463 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' HB3' ' HA ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -143.61 162.59 35.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.013 179.549 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 15' ' ' LEU . 3.6 p -151.84 160.89 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 111.173 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.526 ' HG ' ' HB1' ' A' ' 27' ' ' ALA . 3.6 tt -48.3 -29.86 4.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.222 0.534 . . . . 0.0 110.815 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.547 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -100.15 -33.94 10.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.646 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -100.16 40.18 1.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.369 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.1 mp -26.93 143.29 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.781 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.445 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 99.1 Cg_exo -44.66 94.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.758 2.305 . . . . 0.0 112.3 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.4 -5.54 24.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.504 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -66.72 -35.21 79.59 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.694 0.283 . . . . 0.0 111.579 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -170.22 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 7.9 ttm180 -135.15 137.53 27.05 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-O 120.669 0.271 . . . . 0.0 111.641 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' ' HG2' ' A' ' 20' ' ' ARG . 51.7 Cg_exo -54.52 104.86 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.723 2.282 . . . . 0.0 112.697 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -100.37 -28.48 12.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.1 -13.79 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.819 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.78 -27.96 3.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -62.78 -40.43 97.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.552 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -24.54 67.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.612 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.526 ' HB1' ' HG ' ' A' ' 12' ' ' LEU . . . -72.39 -38.89 68.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.848 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -79.7 -19.38 70.91 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.605 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -8.36 68.17 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.38 1.072 . . . . 0.0 113.055 -179.379 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.617 ' N ' ' O ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER 98.68 58.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.334 -1.303 . . . . 0.0 112.092 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 12.7 pttp 46.69 42.35 11.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.312 0.577 . . . . 0.0 110.925 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -69.4 -6.59 31.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.697 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 69.52 -172.94 0.18 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.7 0.286 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.485 ' CG ' HD23 ' A' ' 12' ' ' LEU . 2.6 mp -108.74 84.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 111.385 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.443 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -100.22 140.24 34.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.977 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.512 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 13.7 m-20 -58.71 -16.38 16.26 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.705 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -78.2 3.57 14.88 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.403 ' O ' ' HB ' ' A' ' 11' ' ' THR . 18.2 m-20 -95.9 103.05 14.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.61 0.243 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 136.85 53.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.439 HG13 ' CE2' ' A' ' 55' ' ' PHE . 3.1 mp -136.52 149.96 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.449 . . . . 0.0 111.606 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.66 96.5 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.881 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.42 HD11 ' CE1' ' A' ' 10' ' ' PHE . 42.2 mt -82.74 136.71 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.4 mm -118.71 152.44 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.74 122.03 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 45' ' ' ILE . 8.3 pt -114.97 -42.48 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.236 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -178.03 37.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.29 52.42 0.69 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 50.02 71.01 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.815 0.34 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 61.2 31.72 19.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 p -178.29 -176.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -174.39 -81.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.29 174.9 10.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.7 t -148.2 114.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.986 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.6 mt -108.27 165.57 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.439 ' CE2' HG13 ' A' ' 40' ' ' ILE . 1.3 t80 -118.71 111.64 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.82 138.46 57.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -99.96 -76.18 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.1 t -110.43 -77.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.075 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.1 t80 63.81 119.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -130.89 35.98 3.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.064 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 t 60.42 30.73 20.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.405 ' CG2' ' CD1' ' A' ' 65' ' ' ILE . 6.5 m -97.98 144.06 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.64 -27.59 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.57 -31.9 73.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.405 ' CD1' ' CG2' ' A' ' 62' ' ' VAL . 17.3 mt -105.45 -29.05 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -43.47 92.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.779 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.7 -29.83 62.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -58.23 -45.22 88.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.97 -57.11 5.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.698 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -49.25 -37.14 22.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.126 0.489 . . . . 0.0 110.125 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.32 -53.82 46.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.061 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.16 -22.88 65.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.657 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.03 -46.58 93.17 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.445 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.78 61.5 0.47 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -99.36 -93.96 0.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.817 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 21.3 mt -100.25 26.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.205 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p30 44.27 30.28 0.44 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.516 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.2 m80 57.23 105.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 t -112.25 -35.08 5.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.2 p -132.36 165.87 23.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.5 mt -101.18 4.57 42.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -28.26 67.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.727 0.299 . . . . 0.0 110.941 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.6 tt -59.02 -45.7 92.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.805 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' HA ' ' HB2' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -60.19 -45.28 93.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.047 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.65 -23.25 66.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.228 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.64 -33.71 55.22 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.52 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 22.1 p-80 -168.98 70.04 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.904 0.383 . . . . 0.0 111.329 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.87 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.5 p90 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.418 HD13 HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -59.25 117.3 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.22 123.83 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.4 p -88.75 107.06 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -95.59 116.98 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.15 90.77 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.55 173.76 54.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.045 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.8 tt -159.88 135.1 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.975 0.417 . . . . 0.0 111.492 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 17' ' ' GLU . 3.0 m-85 -117.8 77.69 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.305 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.3 p -79.68 134.83 36.43 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.305 0.574 . . . . 0.0 111.209 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pt? 46.52 -174.69 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.159 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -89.07 -7.13 56.44 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.834 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.526 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 6.9 t70 -88.2 -19.67 26.58 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.829 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -102.43 40.68 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.526 ' CD ' ' C ' ' A' ' 14' ' ' ASP . 83.5 Cg_endo -79.7 54.95 5.43 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.866 1.71 . . . . 0.0 112.666 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 35.3 tt0 56.77 -84.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -137.61 -30.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.685 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.525 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -170.18 -92.21 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.304 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.99 104.08 0.36 Allowed Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.97 125.55 4.78 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.596 2.198 . . . . 0.0 112.216 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -91.9 -13.0 31.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.273 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.6 m -100.26 -13.57 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.89 -35.94 25.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.674 0.273 . . . . 0.0 111.292 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 22' ' ' PHE . 7.8 p90 -58.66 -42.57 88.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.352 . . . . 0.0 110.699 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -25.29 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.445 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.01 -22.41 58.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.275 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.94 16.68 7.74 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.084 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -100.18 36.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.91 0.355 . . . . 0.0 111.276 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -176.0 43.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.984 0.421 . . . . 0.0 111.113 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.31 32.64 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.362 0.601 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -100.47 149.8 23.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -76.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.51 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tp -170.15 -167.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.377 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.7 m -90.36 44.58 1.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.452 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -57.93 -32.2 67.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.236 0.541 . . . . 0.0 109.9 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.88 16.28 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.392 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -80.82 142.96 33.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.074 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -123.06 105.74 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.706 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 mm -111.26 149.24 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.93 149.74 34.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.375 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.459 HG21 HD12 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -134.76 114.66 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.984 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.6 mm -99.13 114.44 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.1 p -98.98 130.78 45.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -157.54 43.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.753 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? 65.8 -74.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.059 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.51 -88.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.281 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.552 ' O ' ' HB3' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -117.38 -33.03 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.552 ' HB3' ' O ' ' A' ' 48' ' ' THR . 2.0 pm0 161.89 33.27 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.717 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 49' ' ' GLN . 7.5 p 177.8 -159.06 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.713 0.292 . . . . 0.0 110.601 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -121.14 -173.26 2.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.14 145.19 49.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 t -97.91 157.38 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.328 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mt -169.97 148.59 3.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.773 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -70.1 156.79 38.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -126.95 136.46 52.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . 0.417 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -98.74 159.35 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.85 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t -111.84 129.82 56.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.027 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 176.8 98.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -37.76 -62.14 0.57 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.914 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.528 ' O ' HG21 ' A' ' 62' ' ' VAL . 14.0 p -70.97 -153.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 61' ' ' SER . 1.0 OUTLIER 82.57 -39.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.293 0.637 . . . . 0.0 112.604 179.677 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.474 ' N ' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER 68.52 -46.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.847 0.356 . . . . 0.0 111.34 179.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 62' ' ' VAL . 3.7 pt-20 -48.23 -24.99 1.33 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.615 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.446 ' CG1' ' CG2' ' A' ' 62' ' ' VAL . 6.3 mt -33.34 -65.05 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.053 0.454 . . . . 0.0 111.135 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -33.6 44.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -54.54 -37.88 65.94 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.039 0.447 . . . . 0.0 110.737 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -49.15 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.699 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.07 -45.05 91.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -31.94 70.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.178 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 5.5 tt0 -69.44 -47.06 65.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.472 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.4 7.01 27.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.43 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.23 -53.11 2.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.824 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.55 28.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.577 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -85.9 -151.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.603 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -36.71 -83.56 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 174.42 -179.96 0.11 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.904 0.383 . . . . 0.0 111.212 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -111.67 67.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 m -94.37 -67.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.74 -54.05 18.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mt 61.92 24.41 14.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.81 -45.28 86.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 pp -56.46 -37.11 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.998 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 tt -65.77 -32.44 73.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.45 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -71.64 -29.95 65.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.718 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.82 -28.83 17.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.344 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -33.63 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.905 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.628 0.251 . . . . 0.0 110.983 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 3' ' ' ILE . 3.5 mp 47.71 90.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.813 0.34 . . . . 0.0 111.258 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.01 81.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.1 p -70.15 112.83 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.95 77.28 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -99.94 109.89 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.752 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.57 156.87 15.48 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.537 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.2 mt -97.57 157.97 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.498 ' CE2' ' CG2' ' A' ' 23' ' ' VAL . 4.4 m-85 -144.02 53.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 12' ' ' LEU . 10.1 t -83.89 124.92 31.49 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.752 0.787 . . . . 0.0 111.427 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 11' ' ' THR . 6.3 mp 56.09 160.1 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.685 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -74.96 5.88 4.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.533 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.539 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -87.76 -25.48 23.39 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.303 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.543 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -101.01 34.11 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.539 ' CD ' ' C ' ' A' ' 14' ' ' ASP . 84.3 Cg_exo -45.27 83.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.154 1.902 . . . . 0.0 113.034 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' LEU . 3.3 tt0 12.39 -79.07 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.576 0.75 . . . . 0.0 112.896 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 3.8 tp10 -99.77 -46.62 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.051 0.453 . . . . 0.0 111.419 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 40.9 m-85 -170.25 -60.27 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.444 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -138.47 74.86 39.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.888 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.424 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 76.1 Cg_exo -50.93 -171.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.167 2.578 . . . . 0.0 113.87 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -92.9 -31.88 14.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.962 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.498 ' CG2' ' CE2' ' A' ' 10' ' ' PHE . 21.4 m -67.51 -10.35 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.5 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -47.72 -28.83 2.66 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.787 0.327 . . . . 0.0 110.696 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -59.85 -34.81 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.105 0.478 . . . . 0.0 109.936 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.601 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 26.6 tttp -58.82 -33.54 70.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.34 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.78 -26.26 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.285 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.06 26.43 6.76 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.067 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HG ' ' HA ' ' A' ' 26' ' ' LYS . 16.1 mt -37.65 -71.04 0.08 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.153 0.501 . . . . 0.0 112.101 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 13.3 tp10 -177.54 94.76 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.678 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 30' ' ' GLU . 3.7 ttpt 82.45 40.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -173.24 2.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.456 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.58 112.92 19.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.89 0.376 . . . . 0.0 110.781 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.4 46.88 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 p -100.17 30.34 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.78 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 70.34 11.84 7.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.18 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -88.2 12.25 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.496 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -80.72 113.31 18.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.76 0.314 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -113.43 118.43 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.724 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.5 mp -145.71 165.93 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.19 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.55 116.43 12.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.628 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.454 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 1.2 tp -86.9 142.64 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 111.316 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 43' ' ' ILE . 24.1 mt -145.99 142.11 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -155.8 146.81 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.661 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.415 ' CD1' ' ND2' ' A' ' 51' ' ' ASN . 3.1 mp -121.15 -81.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.184 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.9 41.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 111.004 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.56 14.31 63.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.742 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 2.2 p 64.15 12.47 7.07 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.546 0.212 . . . . 0.0 111.404 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 48' ' ' THR . 12.3 mm100 -157.13 27.69 0.3 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.66 0.267 . . . . 0.0 110.823 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.05 169.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.499 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' A' ' 52' ' ' HIS . 20.5 t-20 -91.44 -94.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.459 ' CD2' ' ND2' ' A' ' 51' ' ' ASN . 22.8 m-70 -154.18 -170.94 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.358 . . . . 0.0 111.137 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.7 p -154.22 136.74 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.3 mt -129.75 150.31 51.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.075 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 3.0 p90 -90.94 121.51 32.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.28 114.03 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.3 p -100.07 -165.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.813 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -96.98 84.79 3.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -75.94 -176.54 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -98.53 -67.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -123.35 -176.27 3.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.989 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.58 33.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -109.09 -54.55 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.35 -33.52 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.34 -31.35 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -65.71 -60.47 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -59.98 -30.82 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.87 -55.35 13.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.54 -52.32 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -53.45 -43.96 68.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.71 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 4.1 tt0 -66.67 -37.15 84.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.649 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 78' ' ' HIS . . . -84.5 3.44 36.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.337 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.26 -59.93 1.27 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.531 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.13 -1.99 5.13 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -100.19 -170.5 1.88 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.821 0.343 . . . . 0.0 111.122 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -76.49 -165.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 77.83 88.47 0.07 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.443 ' NE2' ' CD2' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -178.52 -178.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.804 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.2 OUTLIER 61.33 171.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.944 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 79' ' ' THR . 1.6 p 81.12 -22.29 0.28 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.755 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.9 mt 61.02 18.0 8.51 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.684 0.278 . . . . 0.0 111.377 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -81.72 -52.59 7.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.783 0.325 . . . . 0.0 110.727 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.9 pt -59.17 -34.63 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.62 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.71 -34.38 71.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.136 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.98 -30.17 63.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.561 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.63 -26.05 16.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -101.48 -56.49 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 110.8 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.696 0.284 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 mm -107.59 133.14 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.61 54.92 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.91 105.78 3.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.74 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.46 123.28 40.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.967 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.03 97.6 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.83 122.5 5.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.527 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 tt -100.83 118.83 48.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.945 0.402 . . . . 0.0 110.937 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 42' ' ' ILE . 7.1 m-85 -71.61 149.75 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.189 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -123.8 127.55 48.25 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.448 0.642 . . . . 0.0 111.044 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 51.33 -170.01 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.189 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -100.31 -7.16 24.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.037 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.503 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.9 p30 -100.42 -21.68 15.3 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 11' ' ' THR . 33.4 tp -101.82 74.19 0.14 Allowed Pre-proline 0 CA--C 1.533 0.309 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.503 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 74.2 Cg_endo -82.0 50.46 3.47 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.313 2.009 . . . . 0.0 112.277 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 90.36 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.413 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -179.99 -44.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.729 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 20' ' ' ARG . 90.9 t80 -170.43 -75.94 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.965 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -153.13 165.45 17.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.343 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 20' ' ' ARG . 34.6 Cg_endo -65.18 67.97 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.371 2.047 . . . . 0.0 112.335 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' ARG . 82.2 t80 -79.97 -66.31 0.89 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.8 p -54.56 -17.73 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.543 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.3 -29.14 0.95 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.344 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.496 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 6.0 p90 -62.78 -34.26 76.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.771 0.32 . . . . 0.0 110.732 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -67.39 -30.47 70.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.193 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.35 -18.97 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.819 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.19 29.15 3.09 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.004 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.8 tp -47.13 -28.76 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.72 93.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.73 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.22 44.62 9.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.518 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.12 135.08 42.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.623 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.28 109.41 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.026 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.27 97.84 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.793 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.87 -82.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 174.99 84.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -170.22 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.68 154.62 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.8 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -133.01 154.6 50.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.748 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.9 mm -122.73 153.58 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.86 113.56 23.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 10' ' ' PHE . 3.3 mp -122.13 113.82 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.1 pt -128.35 135.05 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -106.92 149.67 27.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.77 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.4 pt -146.22 41.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.253 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.61 21.96 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.64 78.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.226 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.9 m 69.54 -66.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.644 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 176.73 59.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.792 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.38 -175.23 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -134.88 -179.18 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -109.3 152.49 25.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -126.38 143.07 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.3 mt -154.99 142.32 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.414 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 2.4 t80 -74.69 118.24 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.72 102.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 m -100.06 30.64 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.736 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 m -57.71 171.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -119.45 -55.33 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -149.5 -74.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.775 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.48 92.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 m -149.87 169.16 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.36 -31.38 70.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.6 -29.91 69.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.421 HD13 ' CD2' ' A' ' 59' ' ' TYR . 28.2 mm -72.22 -62.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.226 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.67 -33.34 70.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -60.7 -31.05 70.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.769 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.12 -50.3 35.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -66.08 -55.62 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -34.35 36.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.514 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 17.1 mt-10 -60.72 -41.21 94.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.45 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.91 -22.14 33.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.227 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.09 -59.1 11.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.581 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.73 39.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.381 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.03 -73.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.29 0.567 . . . . 0.0 111.076 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.6 pt -95.26 39.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.639 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.0 m120 69.41 -63.93 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 65.93 77.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -164.04 33.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.581 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -133.37 3.87 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.747 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 54.3 26.19 6.63 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.713 0.292 . . . . 0.0 111.214 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -81.9 -65.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 pt -54.7 -29.24 20.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.92 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tt -76.41 -32.43 58.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.169 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.16 -24.72 51.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.481 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.6 -24.44 25.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.397 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 -61.86 1.32 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.932 0.396 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.814 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 2.0 p90 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.918 0.389 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.7 tt -177.79 153.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.05 107.38 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p -141.87 101.08 3.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.85 157.0 32.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.743 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.13 133.39 28.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.82 162.21 14.05 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 mm -129.79 137.19 57.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.832 0.348 . . . . 0.0 111.066 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 16' ' ' PRO . 4.2 m-85 -119.04 65.89 0.78 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.534 ' O ' ' O ' ' A' ' 12' ' ' LEU . 22.5 p -70.69 153.84 42.43 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.715 ' O ' ' C ' ' A' ' 13' ' ' LYS . 1.2 mm? 55.21 150.21 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.322 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.715 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -7.55 83.95 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.3 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 12' ' ' LEU . 39.1 p-10 -5.07 71.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.951 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 13' ' ' LYS . 52.0 tp -54.61 112.35 3.9 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.207 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.429 ' HG3' ' N ' ' A' ' 21' ' ' PRO . 91.1 Cg_endo -78.81 78.9 3.53 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.557 2.171 . . . . 0.0 112.173 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -48.5 -27.82 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 4.5 tp10 -58.73 -61.61 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.48 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 23.2 m-85 -167.01 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.5 ' HB2' ' HD2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -113.6 160.26 32.45 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.765 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HD2' ' HB2' ' A' ' 20' ' ' ARG . 4.6 Cg_endo -46.65 103.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.876 2.384 . . . . 0.0 112.734 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -95.12 -50.04 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -81.4 -7.24 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.46 -27.17 9.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.904 0.383 . . . . 0.0 110.593 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -61.51 -37.9 85.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.297 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -27.91 66.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.976 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.26 -20.24 60.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.544 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.9 33.71 2.16 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.297 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -24.24 9.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.778 0.323 . . . . 0.0 111.501 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.64 81.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.11 43.35 20.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.53 -8.45 38.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.814 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tptm 67.06 148.85 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.805 0.336 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -113.44 97.5 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.25 138.5 37.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.169 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.46 -5.74 48.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.042 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -92.55 14.12 17.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.762 0.315 . . . . 0.0 110.991 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.81 168.11 18.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.908 0.385 . . . . 0.0 111.028 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -159.93 117.31 2.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.7 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.411 HD11 HG23 ' A' ' 40' ' ' ILE . 29.5 mt -125.63 153.82 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.29 151.58 49.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -137.83 127.96 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.416 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 3.9 mp -105.57 113.66 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -79.64 132.22 36.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.436 HD11 HG23 ' A' ' 45' ' ' ILE . 13.3 mt -152.51 152.56 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.792 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -50.73 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.64 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.08 20.33 3.19 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.856 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 44.87 30.47 0.56 Allowed 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.754 0.312 . . . . 0.0 111.109 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.94 -63.34 0.47 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.579 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.45 -69.37 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.161 0.505 . . . . 0.0 110.645 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 44' ' ' SER . 4.7 p-10 -179.3 -169.88 0.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.192 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.416 ' CE1' ' HB ' ' A' ' 43' ' ' ILE . 48.3 p-80 -141.0 149.07 41.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.751 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.25 158.24 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.395 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mt -154.89 127.88 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -70.18 144.95 51.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 mp -122.31 131.61 53.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -59.33 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -156.39 22.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.281 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' SER . 3.6 t80 54.15 -82.52 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' SER . 0.1 OUTLIER 60.77 -79.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.802 0.334 . . . . 0.0 111.334 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -55.25 168.17 0.38 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.263 -179.701 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.0 m -146.44 169.51 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 66.74 -70.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.59 -45.43 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.82 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.478 HG22 HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -70.65 -37.92 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.02 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -38.45 83.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -77.7 -30.78 51.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.6 -50.51 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.06 -61.68 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -49.77 -28.71 6.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -69.63 -44.06 71.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.601 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.89 -0.91 32.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.541 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.1 -74.61 1.28 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.658 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.1 -3.11 23.48 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -154.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.695 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.2 mt -41.54 139.45 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.929 0.395 . . . . 0.0 111.469 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -54.34 -178.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -82.7 -14.46 54.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 75.92 -174.75 0.11 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 120.731 0.301 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.12 171.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.076 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.71 -17.83 59.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.606 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -30.36 51.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.78 0.324 . . . . 0.0 111.015 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 tt -59.79 -44.93 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -41.0 86.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.18 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.92 -26.8 68.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.111 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -78.61 -49.65 6.5 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.389 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 p80 179.58 77.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.738 179.763 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.836 0.35 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 tt -102.8 100.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.39 135.44 51.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.8 p -101.67 166.16 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -94.86 118.17 31.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -113.49 115.55 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.75 101.17 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.216 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.05 76.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 111.446 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.467 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 8.9 m-85 -72.61 127.38 32.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.116 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 12' ' ' LEU . 23.1 p -147.51 162.86 38.2 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.34 0.591 . . . . 0.0 111.685 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 11' ' ' THR . 8.1 mp 53.83 159.27 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.602 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -56.26 -19.26 13.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 179.081 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.482 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 2.6 p30 -89.3 11.1 19.94 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.907 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -44.85 -33.67 1.49 Allowed Pre-proline 0 CA--C 1.537 0.454 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 20.4 Cg_exo -68.87 53.58 0.8 Allowed 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.037 1.824 . . . . 0.0 112.627 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.4 75.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.153 0.501 . . . . 0.0 111.179 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER 165.36 -55.59 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.547 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -170.94 -69.47 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.38 102.68 0.28 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.821 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.457 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 57.2 Cg_endo -71.38 -166.5 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.48 2.12 . . . . 0.0 112.534 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -81.35 -43.85 18.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.004 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 p -56.13 -18.28 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.823 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.2 -53.59 10.27 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 4.5 p90 -54.78 -29.06 53.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.411 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 4.4 ttpm? -72.0 -22.55 61.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.499 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.12 -27.23 59.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.96 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.84 32.82 1.99 Allowed Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.972 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.427 ' CD2' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.63 -22.97 25.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.689 0.28 . . . . 0.0 111.354 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER 177.98 42.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.597 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.78 42.54 26.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.596 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -76.18 -65.5 0.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.917 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.66 141.74 26.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 3.0 mm? -101.3 162.78 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.286 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -87.08 -94.49 0.09 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.711 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.3 -71.35 0.05 OUTLIER 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.037 0.446 . . . . 0.0 110.128 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' SER . 30.2 t70 -114.68 3.01 14.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.466 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.473 ' CB ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t70 -81.72 -173.17 4.28 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -159.96 153.0 21.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.423 HD13 HG23 ' A' ' 40' ' ' ILE . 26.2 mm -136.14 132.06 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.19 115.66 25.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.452 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.48 137.31 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.545 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.7 139.75 37.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.834 0.349 . . . . 0.0 111.601 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.57 131.1 39.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.691 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.99 -66.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.186 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.9 -24.21 15.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.212 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.82 -62.0 3.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 t -74.99 -27.96 60.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.804 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -88.96 -61.58 1.67 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.7 p -177.07 173.77 1.78 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.921 0.391 . . . . 0.0 111.29 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -136.89 -172.82 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.682 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -133.27 143.84 49.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.4 t -108.02 133.78 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.53 132.59 46.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.089 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -93.98 132.98 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.597 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.5 mt -111.54 79.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -27.32 67.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.641 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -152.32 -63.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.467 ' CZ ' ' HB ' ' A' ' 65' ' ' ILE . 29.5 t80 51.72 86.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.224 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -100.28 124.48 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m -48.49 121.62 4.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.4 p -166.5 29.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.281 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 70.62 -57.61 0.58 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.3 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.76 -37.26 68.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.795 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.467 ' HB ' ' CZ ' ' A' ' 59' ' ' TYR . 1.8 pp -64.68 -36.32 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -69.83 -52.24 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.596 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -55.88 -29.19 59.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.09 -46.57 77.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.5 -64.79 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -47.71 -33.22 6.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.949 0.404 . . . . 0.0 110.77 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -63.74 -42.24 97.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.254 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.04 6.74 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.297 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.69 -48.75 3.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.16 33.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 111.665 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -100.04 158.4 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.4 pt -68.26 70.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.054 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -179.23 -170.08 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 61.09 91.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 110.64 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -177.57 -171.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.0 t 45.67 27.72 0.46 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.654 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 48.47 26.3 1.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.588 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.34 -58.82 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.822 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 pp -54.48 -25.06 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.808 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.415 ' HA ' ' HB2' ' A' ' 88' ' ' LEU . 4.6 mp -73.01 -45.18 59.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.254 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.83 -13.18 61.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.41 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.89 -26.58 14.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.669 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -165.35 60.68 0.12 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.836 0.35 . . . . 0.0 111.383 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.0 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.786 0.327 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 tp -59.35 108.46 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.74 118.65 5.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -129.67 78.46 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.28 123.15 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.11 76.56 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.05 164.56 44.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.374 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.3 mm -139.68 102.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 111.325 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -69.98 120.4 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.568 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.473 ' O ' ' O ' ' A' ' 12' ' ' LEU . 9.5 t -131.2 113.88 14.4 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.195 0.521 . . . . 0.0 111.53 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER 56.46 142.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.27 179.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -26.45 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.474 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.448 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 36.2 t70 -53.97 -42.57 69.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.225 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.11 103.08 20.44 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' GLU . 82.5 Cg_endo -91.6 39.29 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.822 2.348 . . . . 0.0 112.674 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 1.0 OUTLIER 29.42 36.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.634 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 6.6 tp10 167.48 -70.39 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.256 0.55 . . . . 0.0 110.638 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -169.4 -53.07 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.956 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpt85 -106.07 134.59 19.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.07 105.04 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.557 2.172 . . . . 0.0 112.413 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -93.16 -21.92 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.415 HG11 ' HG2' ' A' ' 26' ' ' LYS . 29.8 t -100.28 10.35 7.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.423 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -84.1 -22.15 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.519 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CD2' HD23 ' A' ' 29' ' ' LEU . 2.0 p90 -70.21 -36.95 74.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG2' HG11 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -72.06 -27.32 62.61 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.359 179.522 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.08 -26.78 59.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.04 24.26 6.01 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.517 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.426 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -65.08 -15.27 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 111.545 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 1.2 mt-10 -137.38 50.71 1.96 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 10.4 ptmm? 48.18 41.01 15.05 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.287 0.565 . . . . 0.0 110.652 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -92.92 17.0 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.279 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.59 -168.43 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.852 0.358 . . . . 0.0 111.42 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -126.28 130.41 50.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -174.29 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -102.98 -20.88 14.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -97.23 23.28 7.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.058 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.49 98.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.802 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -113.57 135.15 54.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mp -141.09 137.19 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.42 118.6 37.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.8 mt -101.92 113.69 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.1 mm -118.8 110.04 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.3 p -119.23 145.03 46.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -132.35 33.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.79 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.9 27.88 15.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.608 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 t -164.91 -44.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.82 -37.37 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.788 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.0 81.9 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -125.7 119.94 29.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -135.46 148.95 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -147.87 122.32 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 mt -103.51 172.92 6.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.989 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -124.95 118.24 25.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.98 122.39 45.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.723 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -98.62 -56.33 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.2 t -103.96 -77.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.423 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 3.1 t80 60.88 69.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -107.97 -21.63 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -54.9 -174.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 m -113.81 -148.04 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.427 ' HA ' ' HB2' ' A' ' 66' ' ' ARG . 4.2 m-20 -46.73 -27.35 1.16 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.748 0.309 . . . . 0.0 111.537 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -52.31 -27.5 15.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.61 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.423 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 43.5 pt -109.48 -7.1 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' A' ' 63' ' ' ASP . 11.8 mtp85 -78.93 -57.97 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.909 0.385 . . . . 0.0 111.172 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -58.77 -39.71 81.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.389 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -62.85 -43.93 97.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.014 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.8 tp -73.35 -49.61 26.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.79 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.83 -49.48 65.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.8 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.99 -33.73 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.613 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.3 -26.38 18.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.036 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.98 -30.83 8.54 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.514 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.36 34.97 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 111.451 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.04 -178.76 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.401 . . . . 0.0 111.031 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.3 pt -97.19 150.73 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 77.28 -55.17 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.97 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 69.08 11.28 8.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 43.84 -163.23 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.328 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' ' CB ' ' A' ' 81' ' ' LEU . 9.8 t -170.85 97.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 80' ' ' THR . 0.7 OUTLIER 81.79 -44.01 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.617 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.433 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -52.95 -60.24 3.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.677 0.275 . . . . 0.0 111.29 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.8 pp -52.81 -29.82 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -45.2 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.274 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.433 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 19.9 pt-20 -72.81 -19.95 61.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.424 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.22 -28.74 10.33 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.319 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -179.09 74.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.74 0.305 . . . . 0.0 111.251 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.782 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.409 ' O ' ' CD2' ' A' ' 2' ' ' PHE . 38.6 p90 . . . . . 0 N--CA 1.463 0.222 0 CA-C-O 120.905 0.383 . . . . 0.0 111.474 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.486 HG22 HD11 ' A' ' 3' ' ' ILE . 0.5 OUTLIER 70.75 138.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.89 119.62 36.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.9 p -131.36 94.01 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mt -116.44 152.84 33.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.071 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.26 160.39 40.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.742 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.35 110.74 0.88 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.64 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.404 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 18.4 tt -81.97 79.73 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.078 0.466 . . . . 0.0 110.934 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.465 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 21.7 m-85 -76.57 143.65 40.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.741 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 12' ' ' LEU . 9.3 t -159.9 155.91 26.4 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.298 0.57 . . . . 0.0 111.512 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.3 OUTLIER 57.2 158.0 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.287 -179.46 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -54.43 -22.26 12.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.659 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.607 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 14.2 t70 -84.92 3.96 35.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.634 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 2.4 pt? -41.56 -40.21 2.95 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 12.4 Cg_endo -54.73 71.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.07 1.847 . . . . 0.0 112.914 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.86 67.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.784 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -46.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -170.74 -86.84 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.758 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.28 150.4 43.0 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.839 0.352 . . . . 0.0 111.219 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 63.5 Cg_endo -73.34 123.65 8.87 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.863 2.375 . . . . 0.0 112.918 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -79.55 -39.05 32.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.296 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 m -74.3 -8.58 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.026 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.401 ' HB2' ' HG2' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -48.35 -31.03 5.53 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.652 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -58.83 -35.68 73.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.13 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -65.64 -28.73 69.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.883 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.47 -27.4 66.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.818 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.67 24.57 5.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.2 tp -79.83 -7.41 58.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -162.32 43.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.949 0.404 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 57.7 43.73 21.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.845 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -95.71 -12.86 24.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.224 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm 65.31 -175.65 0.18 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.904 0.383 . . . . 0.0 111.066 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -103.15 116.84 33.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.935 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.06 124.53 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.43 -16.79 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.17 24.31 8.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.07 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.3 160.6 26.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -160.99 119.73 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.4 mt -150.48 160.32 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.75 144.25 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.424 HD12 ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -123.54 131.54 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.009 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.7 mm -117.04 116.17 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.274 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.486 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 54.5 p -93.99 140.97 29.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.3 pt -150.84 33.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.05 37.26 0.81 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.24 51.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.005 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.2 p 40.77 32.16 0.15 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.83 0.348 . . . . 0.0 111.242 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 50' ' ' SER . 17.7 mm100 -147.8 -76.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.316 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 4.8 t 149.63 75.3 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.962 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.486 ' CB ' ' HA ' ' A' ' 44' ' ' SER . 3.1 p-10 47.01 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.501 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -151.22 136.7 17.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.654 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.2 t -69.92 136.67 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.21 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.18 106.96 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -74.48 130.63 39.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mt -109.01 113.12 25.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 t -74.19 -67.89 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -124.5 166.82 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.423 ' CE2' HG12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -167.97 88.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.01 27.53 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 m 57.08 43.26 24.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.405 ' CG2' HG22 ' A' ' 65' ' ' ILE . 28.0 m -88.34 21.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 68.31 -61.87 0.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.796 0.331 . . . . 0.0 111.351 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -47.27 -34.6 6.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.423 HG12 ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -70.66 -23.99 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.63 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -77.95 -70.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.374 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -31.01 30.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.347 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -65.34 -51.72 58.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.017 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 tp -69.84 -45.56 67.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.091 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.94 -47.09 74.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -78.1 -34.85 49.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.05 -24.43 53.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.2 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.39 -43.44 4.92 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.663 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.82 32.67 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.279 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.16 157.97 36.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.18 119.98 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m120 62.8 118.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -89.17 172.38 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 t -108.52 -161.27 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.714 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 t -91.54 45.08 1.21 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt 55.74 23.06 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.228 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -80.07 -49.76 11.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.6 pp -56.97 -31.29 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mp -70.74 -43.07 69.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.183 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.1 -24.72 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.606 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.39 -21.88 20.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.625 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -116.47 20.49 14.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.627 0.251 . . . . 0.0 111.248 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.924 179.81 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 3' ' ' ILE . 50.7 t80 . . . . . 0 C--O 1.228 -0.073 0 CA-C-O 120.62 0.248 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 2' ' ' PHE . 1.4 tp 50.4 121.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.986 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.64 103.76 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.0 p -121.14 119.21 31.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.61 137.12 20.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -108.54 120.27 41.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.26 157.96 16.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.591 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.8 mm -132.59 142.94 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 17' ' ' GLU . 1.8 m-85 -115.0 111.78 21.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.445 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.458 ' O ' ' O ' ' A' ' 12' ' ' LEU . 12.4 p -98.8 105.34 17.48 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.105 0.479 . . . . 0.0 111.289 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 11' ' ' THR . 65.0 mt 57.71 137.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.843 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -45.16 -28.1 0.71 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.659 179.571 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.453 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.3 t70 -52.5 -51.59 58.71 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.858 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.87 109.41 18.45 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.382 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 94.2 Cg_endo -93.96 32.26 0.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.757 2.305 . . . . 0.0 113.126 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER 65.33 -45.29 0.36 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.596 179.466 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.8 tt0 179.18 -28.89 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -149.64 79.76 1.38 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.059 0.457 . . . . 0.0 111.741 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 61.49 147.16 0.08 OUTLIER Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.377 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -90.36 117.09 0.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.993 2.462 . . . . 0.0 112.607 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.31 -31.98 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.039 0.447 . . . . 0.0 110.339 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 23' ' ' VAL . 9.4 p -61.34 -18.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.325 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -47.25 -39.3 14.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.561 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.469 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -62.79 -48.64 78.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.524 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -69.43 -19.0 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.407 179.36 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.17 -25.2 34.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.43 24.71 4.37 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.713 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -21.28 49.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.857 0.36 . . . . 0.0 111.309 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -149.88 44.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 14.9 pttp 48.42 39.89 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.36 0.6 . . . . 0.0 110.77 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -61.76 -69.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -164.91 -171.9 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.96 0.41 . . . . 0.0 111.235 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 1.7 mm? -125.53 -165.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.842 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 37' ' ' ASP . 47.6 t -56.02 -115.3 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.123 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 65.2 -67.84 0.12 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.994 0.426 . . . . 0.0 109.955 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 35' ' ' SER . 2.6 p30 -135.66 14.09 3.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.623 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.51 147.08 54.01 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.847 0.356 . . . . 0.0 111.021 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -164.6 145.61 7.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.417 ' CG2' ' HB2' ' A' ' 10' ' ' PHE . 1.2 tp -146.17 142.33 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 40' ' ' ILE . . . -114.84 117.65 31.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 0.0 111.313 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.5 pt -116.3 134.99 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.754 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -134.74 132.27 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 0.0 111.663 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 76.5 p -108.6 156.4 19.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.369 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 pp -168.22 65.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.897 0.379 . . . . 0.0 111.558 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 45.54 30.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.27 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.33 65.79 0.75 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.895 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.18 -63.45 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.743 0.306 . . . . 0.0 110.548 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -179.56 53.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.7 -165.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -149.4 165.37 32.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.781 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -99.69 142.61 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.0 p -104.38 120.17 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.86 132.59 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.801 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -83.48 148.07 27.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.99 92.96 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.754 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -69.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 p -177.53 61.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -121.28 132.34 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -138.42 27.36 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.512 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 3.3 m -164.69 -160.24 0.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 61' ' ' SER . 10.0 p 54.53 141.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.157 0.503 . . . . 0.0 111.95 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.22 -27.37 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -26.87 10.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -42.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -70.62 -48.97 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -56.51 -30.74 63.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -75.83 -30.03 58.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -77.33 -50.25 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -31.24 68.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.12 -28.44 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.72 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.14 -36.91 10.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.02 -64.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.179 0.514 . . . . 0.0 111.183 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -57.84 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.1 mm -50.19 155.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.266 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -85.96 -170.22 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -52.42 -25.48 10.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.323 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.72 89.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.0 t 43.91 55.52 5.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.472 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 44.04 37.04 1.62 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.333 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -78.5 -51.68 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.065 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.6 mt -54.32 -38.56 40.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 5.8 mt -65.58 -41.15 93.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.211 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -72.54 -13.48 61.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -92.19 -31.08 9.35 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.9 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -175.25 66.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.887 0.375 . . . . 0.0 111.579 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.408 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.972 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.907 0.384 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.9 mm -68.13 124.99 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.8 94.89 9.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 p -100.45 95.68 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.51 99.65 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 110.65 21.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.794 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.46 132.43 10.98 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.616 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.1 116.24 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.755 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 17' ' ' GLU . 4.2 m-30 -78.63 104.4 9.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.468 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.519 ' O ' ' O ' ' A' ' 12' ' ' LEU . 1.2 p -88.13 105.97 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.076 0.465 . . . . 0.0 111.205 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.519 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER 55.78 138.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.654 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -47.09 -24.87 0.73 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.484 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 5.9 t70 -53.97 -42.11 68.6 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mp -100.86 79.7 0.23 Allowed Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.011 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 59.9 Cg_endo -71.38 54.88 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.785 2.323 . . . . 0.0 113.246 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 5.3 tm-20 61.9 -72.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.402 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.8 tm-20 -128.99 -36.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 111.621 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -169.81 -70.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.259 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -124.05 112.27 28.55 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' A' ' 16' ' ' PRO . 86.0 Cg_endo -92.94 178.52 1.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.974 2.449 . . . . 0.0 112.523 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 90.1 m-85 -92.01 -28.78 16.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.615 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -73.2 -13.81 16.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.567 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -48.98 -37.71 21.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.758 0.314 . . . . 0.0 111.015 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -59.88 -26.14 65.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -66.56 -37.21 84.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.95 68.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.9 28.37 4.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.437 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.48 -12.55 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 111.569 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -177.99 46.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.411 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt 61.53 45.98 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -66.62 -13.39 61.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.198 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.18 160.42 0.23 Allowed 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 2.4 mm? -78.47 93.32 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.8 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 p -87.49 86.19 7.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.763 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -59.4 -20.26 53.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.49 5.54 47.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.627 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.56 157.17 19.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.92 0.391 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -146.21 159.05 43.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mt -147.07 117.47 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.236 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 127.04 34.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.437 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 28.6 mm -113.68 115.21 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.9 mm -100.1 107.43 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t -95.45 109.65 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.1 pt -151.18 -168.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.46 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.45 38.79 4.1 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.921 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 51.19 52.88 13.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 65.08 66.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -177.39 167.81 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -119.58 137.33 53.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -89.47 126.57 35.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.1 p -109.19 143.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.061 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 mt -141.52 120.58 12.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -76.04 134.74 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 mp -98.67 109.59 22.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 t -96.19 -39.5 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -140.0 34.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.467 ' CZ ' HG12 ' A' ' 65' ' ' ILE . 1.6 t80 -67.19 -172.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.771 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 59' ' ' TYR . 3.1 p-10 49.2 109.24 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.854 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.93 -52.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.495 ' O ' HD11 ' A' ' 65' ' ' ILE . 4.1 m -146.42 -174.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.72 1.45 38.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -84.8 -31.1 24.06 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.072 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.495 HD11 ' O ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -81.25 -25.51 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.736 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.429 ' N ' ' CD1' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -77.9 -35.93 50.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.222 179.224 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -32.87 74.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.039 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -54.01 42.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.468 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.11 -48.11 83.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.64 -33.07 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.343 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.55 -39.4 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.517 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.39 -5.11 53.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.433 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.2 -65.03 1.55 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.847 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.46 -15.9 12.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.754 0.311 . . . . 0.0 111.804 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -100.12 -157.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.786 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 mt -44.04 125.97 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 120.803 0.335 . . . . 0.0 111.481 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -99.59 -175.8 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.422 ' O ' ' CG2' ' A' ' 79' ' ' THR . 26.5 m-70 -62.29 -59.17 5.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 78' ' ' HIS . 14.6 t 46.79 31.06 1.32 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.363 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.8 t 174.94 -28.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mt 74.36 23.3 2.03 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -29.37 60.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.75 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.4 -59.66 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.458 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -56.03 -35.63 67.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.166 179.254 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -66.81 -26.57 67.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.146 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.0 -32.94 62.89 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.278 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.57 71.67 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.91 0.386 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.692 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.705 0.288 . . . . 0.0 110.949 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -73.15 112.69 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.7 94.67 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.07 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.07 157.84 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tp -150.15 143.4 25.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.714 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -112.24 74.08 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.044 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.41 151.32 51.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.241 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.0 mt -133.0 100.48 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.325 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CB ' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -98.51 102.55 14.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.894 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.583 ' O ' ' O ' ' A' ' 12' ' ' LEU . 1.1 t -100.3 -177.75 3.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.972 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.583 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 46.17 152.48 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.914 0.886 . . . . 0.0 111.945 -177.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.432 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.76 -26.45 0.39 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.436 -178.538 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -81.59 -17.0 49.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.581 ' HB2' ' CB ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -9.47 73.79 0.02 OUTLIER Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 123.927 0.891 . . . . 0.0 113.299 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 14' ' ' ASP . 84.3 Cg_endo -102.76 48.89 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.378 2.719 . . . . 0.0 114.189 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER 25.26 -93.45 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.815 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -157.06 17.94 0.3 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.731 0.301 . . . . 0.0 110.938 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -170.58 79.78 0.09 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 121.023 0.439 . . . . 0.0 110.805 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 62.62 137.73 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 30.9 Cg_exo -60.79 120.65 8.48 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.496 2.131 . . . . 0.0 112.502 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.15 -29.14 12.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.647 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -92.65 -13.28 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.35 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -47.72 -32.3 5.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -60.19 -36.27 77.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.632 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -34.58 76.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.262 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.24 -29.53 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.579 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.63 17.65 23.06 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.615 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.76 -24.2 21.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.95 0.405 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -178.11 40.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.884 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm 55.9 42.66 28.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.759 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -43.99 84.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -178.12 104.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.43 52.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.08 168.2 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.8 0.7 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.464 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.86 25.03 7.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.68 0.276 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -83.43 134.17 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -139.46 141.44 37.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.1 mt -150.02 127.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.239 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.21 112.21 24.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.476 ' CD1' ' CD2' ' A' ' 10' ' ' PHE . 2.9 mp -107.17 125.81 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.49 103.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -73.09 144.05 47.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.001 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.443 HD12 ' CG ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -135.51 -38.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.314 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -139.8 98.59 3.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.234 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.24 -37.43 54.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.874 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -67.2 -31.79 72.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.997 0.427 . . . . 0.0 110.155 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 46' ' ' LYS . 1.3 mm100 -77.96 -78.77 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.536 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER 163.96 37.89 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.544 179.739 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 48.78 -167.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.311 . . . . 0.0 111.017 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.443 ' CG ' HD12 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -142.73 92.59 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 110.636 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 p -82.72 142.8 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.367 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.22 130.18 20.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.778 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -69.89 146.36 51.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.095 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tp -137.15 143.66 42.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.6 m -100.01 -77.04 0.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.4 p -177.97 138.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.42 -47.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.7 t30 60.67 30.83 19.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.62 149.52 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -117.57 116.85 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -78.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -85.62 -42.5 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 tt -62.83 -30.9 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -75.61 -49.37 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -31.47 69.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.38 -55.23 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -50.42 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.266 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.94 -36.81 50.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.846 0.355 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -42.91 96.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.716 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.44 -24.64 42.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.66 -59.51 10.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.59 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.52 40.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.293 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -81.29 -85.06 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.968 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.22 -82.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.222 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -166.6 160.9 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -91.32 174.34 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 t -123.68 52.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.9 m 62.39 -85.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.241 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.5 mt -148.72 29.0 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.746 0.308 . . . . 0.0 111.055 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -55.71 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.092 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.1 pt -56.74 -31.5 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 mp -73.96 -31.83 63.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.28 -24.58 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.66 -21.26 10.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.729 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -105.99 -54.4 2.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.788 0.327 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.756 0.312 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tp -75.74 148.34 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.16 146.31 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -164.76 136.55 4.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tp -118.98 120.38 37.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 114.62 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.22 162.18 27.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 tt -117.14 123.6 72.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.222 0.534 . . . . 0.0 111.559 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 2.2 m-85 -114.47 111.82 22.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.231 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.84 118.93 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.727 ' N ' ' HB2' ' A' ' 38' ' ' ASP . 4.6 tp -26.2 -48.15 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.612 ' HG2' ' HB3' ' A' ' 38' ' ' ASP . 14.2 mmtm -100.51 -46.91 5.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.741 0.305 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.445 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 67.3 m-20 -94.59 38.55 1.1 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.915 0.388 . . . . 0.0 111.243 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.707 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 3.5 pp -85.33 -20.08 0.26 Allowed Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 81.0 Cg_endo -82.12 54.0 4.8 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 121.434 1.422 . . . . 0.0 112.999 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -31.67 -36.46 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.175 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.1 tm-20 -88.8 -58.71 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.197 0.522 . . . . 0.0 111.223 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -171.26 -60.35 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.29 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.95 95.9 1.96 Allowed Pre-proline 0 C--N 1.332 -0.163 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.09 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.514 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 87.0 Cg_endo -77.04 -158.49 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.866 2.377 . . . . 0.0 112.394 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -88.68 -7.37 56.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.664 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG2' ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -100.67 -7.68 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -53.88 -23.4 12.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.686 0.279 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.4 p90 -68.85 -31.72 70.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.7 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -32.78 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.639 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.37 -18.0 61.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.957 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.74 28.63 2.73 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.826 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -69.11 -11.83 61.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.702 0.251 . . . . 0.0 111.438 -179.791 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -169.65 47.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.376 . . . . 0.0 111.042 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.31 46.24 7.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -68.46 -14.04 62.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.35 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 4.8 ptpt 48.04 -176.05 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 111.449 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -117.49 119.08 33.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -100.21 -90.28 0.32 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.771 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -179.8 -27.76 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.04 22.02 2.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.057 0.455 . . . . 0.0 110.727 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.727 ' HB2' ' N ' ' A' ' 12' ' ' LEU . 4.6 p30 -53.31 93.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.318 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 56' ' ' LEU . 33.6 mm-40 -125.85 100.62 6.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.369 . . . . 0.0 111.28 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' A' ' 10' ' ' PHE . 5.8 tt -143.53 103.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.57 160.24 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.813 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.1 mt -138.67 141.37 37.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.562 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.469 ' O ' ' HB3' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -142.83 156.53 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 111.495 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.496 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 18.9 p -134.37 144.43 48.22 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.65 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.414 ' CD1' ' OD1' ' A' ' 51' ' ' ASN . 3.9 mt -119.26 16.03 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.523 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? 55.9 30.36 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.57 39.65 2.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 p 57.32 20.35 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.652 0.263 . . . . 0.0 111.239 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -156.05 19.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.344 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.0 t 42.74 32.95 0.42 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.851 0.357 . . . . 0.0 111.551 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.496 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 46.6 t30 59.39 -110.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.571 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.446 ' CE1' ' OD1' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -170.54 175.94 4.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.97 0.414 . . . . 0.0 111.042 179.602 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -101.06 151.06 5.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.765 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.37 126.87 50.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.925 0.393 . . . . 0.0 111.188 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CE1' HD12 ' A' ' 12' ' ' LEU . 15.5 t80 -93.54 110.3 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -94.8 148.53 22.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.754 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.0 t -99.99 -32.98 10.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.39 164.3 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -124.95 136.96 54.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.927 0.394 . . . . 0.0 111.039 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -168.63 139.45 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.663 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m 65.81 -169.58 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.806 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 m -152.42 82.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 179.11 -52.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.02 7.03 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.468 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.441 HG22 HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -118.04 -39.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.82 0.343 . . . . 0.0 110.903 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -76.25 -37.89 57.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -58.25 -46.74 85.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -43.75 69.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.29 -52.07 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -51.3 -32.82 26.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.006 0.432 . . . . 0.0 110.539 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 1.6 mt-10 -63.23 -47.31 83.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.509 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.442 ' CB ' ' CE1' ' A' ' 78' ' ' HIS . . . -64.3 -29.7 70.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.83 -65.08 3.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 176.05 53.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.002 0.43 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 1.3 tttm -99.85 -76.35 0.55 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 64.1 mt -82.72 -80.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.94 25.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.605 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.442 ' CE1' ' CB ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER 53.17 174.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 0.0 111.3 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.417 ' HB ' ' HB2' ' A' ' 82' ' ' LYS . 65.6 p -124.5 2.46 8.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.016 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 81' ' ' LEU . 1.4 p 75.5 -68.03 0.22 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.718 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.462 ' N ' ' OG1' ' A' ' 80' ' ' THR . 19.2 mt -147.76 12.17 0.99 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HB2' ' HB ' ' A' ' 79' ' ' THR . 35.2 mttt -73.24 -50.79 20.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.676 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -28.12 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.871 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -69.37 -51.2 39.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.236 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.74 -17.22 64.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.193 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.76 -35.6 13.04 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.411 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.2 p80 174.61 75.61 0.0 OUTLIER 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.747 0.308 . . . . 0.0 111.208 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.917 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 tp -165.09 119.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.36 92.17 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -141.81 109.89 5.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.4 145.99 34.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -119.96 93.18 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.767 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.92 151.44 25.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.688 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.0 113.35 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 17' ' ' GLU . 1.0 OUTLIER -108.11 112.3 24.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.375 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 12' ' ' LEU . 71.5 p -102.69 120.56 40.79 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 111.81 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER 58.51 139.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.08 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -25.37 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -62.57 -46.39 88.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.176 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.32 111.36 21.82 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.58 0.229 . . . . 0.0 111.032 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 18' ' ' GLU . 92.1 Cg_endo -92.98 46.94 0.36 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.927 2.418 . . . . 0.0 112.379 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 7.6 tp10 63.9 -65.06 0.13 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.073 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 16' ' ' PRO . 5.8 tp10 -164.79 -29.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -170.84 91.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.897 0.38 . . . . 0.0 111.417 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.08 106.2 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.964 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' A' ' 16' ' ' PRO . 43.1 Cg_endo -95.34 159.01 1.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.022 2.481 . . . . 0.0 112.782 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -89.39 8.31 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.406 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -100.21 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.299 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -44.63 -36.7 3.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.991 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.449 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 5.6 p90 -61.77 -46.5 89.3 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.647 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -63.49 -24.43 67.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 0.0 110.301 179.373 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.34 -26.88 62.09 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.35 37.52 1.74 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.519 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.06 -5.28 48.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.585 0.231 . . . . 0.0 111.481 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -161.7 45.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.005 0.431 . . . . 0.0 111.023 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 59.58 45.0 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.745 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -78.15 -19.56 53.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp 64.67 -176.63 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.24 98.93 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.98 -174.52 4.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -120.54 28.2 8.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -139.31 13.05 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.336 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.2 138.86 36.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -139.15 135.18 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 40' ' ' ILE . 18.9 mm -125.11 142.23 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.84 115.03 14.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.46 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 22.1 mt -98.11 118.06 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.423 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.6 mt -113.06 97.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.795 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.87 152.1 23.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 51' ' ' ASN . 0.7 OUTLIER -140.13 -176.96 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.447 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -80.01 54.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 111.5 -179.646 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.68 14.51 55.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.467 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 p 58.19 21.08 7.69 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.745 0.307 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 175.17 39.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.25 -162.73 0.08 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.495 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.427 ' HB2' ' CG1' ' A' ' 45' ' ' ILE . 11.3 t-20 -146.58 -115.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.265 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -121.83 153.65 38.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 111.109 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -121.91 106.4 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -100.07 -171.38 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.87 151.92 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.404 ' N ' ' CD2' ' A' ' 56' ' ' LEU . 1.9 mm? -108.3 113.72 27.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 p -89.56 -47.58 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 p -137.66 76.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 65' ' ' ILE . 24.9 t80 -87.55 136.43 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -104.4 -89.85 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 p 168.58 45.15 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 m -124.94 154.82 33.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.309 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.63 -28.4 67.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -44.73 83.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.418 HG21 ' CE2' ' A' ' 59' ' ' TYR . 32.9 mm -80.84 -32.89 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -63.41 -42.28 98.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -70.88 -32.89 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.39 -45.2 88.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.1 tp -75.29 -37.28 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -46.55 89.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.325 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 72' ' ' ALA . 7.9 pt-20 -61.84 -34.62 76.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 71' ' ' GLU . . . -81.57 -24.11 36.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.38 -60.28 9.23 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.69 29.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.651 0.262 . . . . 0.0 111.566 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.405 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -100.2 -73.3 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.188 0.518 . . . . 0.0 110.766 179.64 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 tp -100.13 137.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.023 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -66.48 170.57 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.806 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.49 71.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.67 145.63 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 p 81.83 -36.66 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.483 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 64.38 15.36 9.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 85' ' ' GLU . 13.1 mtpt -77.59 -22.89 50.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' CD2' ' A' ' 87' ' ' HIS . 8.7 pt -74.08 -33.18 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 110.261 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -69.23 -45.08 70.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.203 179.354 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -73.55 -12.16 60.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.385 179.052 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.07 -29.48 9.0 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.41 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 83' ' ' ILE . 4.7 p80 -104.19 -30.18 10.36 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.813 0.34 . . . . 0.0 110.956 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . 12.1 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -59.26 103.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.13 97.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.69 86.48 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.05 129.91 44.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -141.63 72.64 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.0 135.48 15.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.28 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 mt -104.52 130.64 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.085 0.469 . . . . 0.0 111.399 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 17' ' ' GLU . 3.1 m-85 -104.31 122.93 46.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.273 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.402 ' N ' ' HB3' ' A' ' 15' ' ' LEU . 9.9 t -100.83 146.07 27.76 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HB2' ' H ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER 38.33 -145.73 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.494 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.455 ' H ' ' HB2' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -87.65 -43.19 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.703 0.287 . . . . 0.0 111.174 -179.33 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' PRO . 1.5 t70 -56.52 -23.13 37.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.042 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -13.5 78.28 0.02 OUTLIER Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.588 ' O ' ' N ' ' A' ' 18' ' ' GLU . 93.8 Cg_endo -98.08 47.53 0.09 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 122.86 2.373 . . . . 0.0 113.255 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 1.6 tt0 44.53 -82.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.216 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 16' ' ' PRO . 25.1 tt0 -162.48 31.3 0.11 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.168 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.91 -61.03 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.362 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' HD2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -149.94 151.96 33.29 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-O 120.72 0.295 . . . . 0.0 111.295 -179.568 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.536 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 24.4 Cg_exo -63.55 114.46 2.55 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.975 2.45 . . . . 0.0 112.607 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.21 -61.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 10' ' ' PHE . 35.4 m -71.23 -9.41 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.65 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -48.49 -27.93 3.01 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.878 0.37 . . . . 0.0 110.665 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -60.23 -37.59 80.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.391 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -59.67 -41.22 90.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.57 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.44 70.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.475 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.55 11.08 56.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.67 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 mt -50.57 -24.94 3.58 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.88 0.372 . . . . 0.0 111.345 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 6.9 pt-20 -176.28 43.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.042 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER 47.4 40.22 10.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.643 -179.784 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -54.04 -66.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.204 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -164.07 106.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.35 78.85 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 t -89.12 164.69 14.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -98.53 -15.5 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.6 25.83 11.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.178 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.35 171.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.772 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -155.96 116.86 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.232 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.7 mt -137.21 160.91 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.27 137.93 17.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.961 0.41 . . . . 0.0 111.86 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.7 mm -109.47 127.1 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.536 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 mt -111.46 123.48 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 111.76 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.78 142.67 50.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.016 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.7 mp -145.97 66.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.372 . . . . 0.0 111.634 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.43 29.44 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.07 56.7 3.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.271 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 25.7 p 47.34 70.93 0.36 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 48' ' ' THR . 13.5 pt20 45.73 52.77 9.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.016 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.19 154.91 42.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -148.9 -177.29 5.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.768 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -124.97 130.67 52.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.1 t -108.27 99.22 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -109.47 145.64 35.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.038 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -99.87 132.83 44.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -108.65 128.92 55.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.94 35.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.3 p 63.21 135.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.988 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -159.39 28.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 45.49 -169.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.441 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.16 132.0 39.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.5 p -179.09 160.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -53.33 -22.88 7.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.603 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.57 -50.64 73.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' ' CE1' ' A' ' 59' ' ' TYR . 3.3 pt -64.8 -24.55 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.303 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -34.48 52.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.686 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -86.82 -37.84 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -56.0 26.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.2 -51.19 64.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.745 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.17 -31.08 63.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.546 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 4.5 mm-40 -66.33 -44.21 83.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.419 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' CE1' ' A' ' 78' ' ' HIS . . . -77.49 -25.22 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.055 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.05 -59.22 11.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.19 58.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 111.217 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -95.77 177.95 5.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.947 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.41 ' N ' ' CD1' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -56.42 117.82 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.421 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 t30 54.93 104.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.363 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.4 ' CE1' ' O ' ' A' ' 72' ' ' ALA . 23.0 t-80 -142.21 77.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.1 t -177.31 37.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.968 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.1 t -111.12 -17.32 13.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tp 66.96 18.46 10.6 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -78.88 -55.62 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 pt -55.49 -33.62 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.781 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.31 -36.52 77.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.125 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.67 -13.97 60.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.626 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.51 -29.75 7.26 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.851 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 3.8 p-80 -111.89 -33.53 6.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.757 0.313 . . . . 0.0 111.089 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 87' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.409 ' O ' HG21 ' A' ' 3' ' ' ILE . 3.1 t80 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.778 0.323 . . . . 0.0 110.882 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER 48.54 -175.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.624 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 3' ' ' ILE . . . -148.83 81.89 1.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.1 p -101.81 81.88 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.17 127.7 43.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -107.63 110.88 22.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.94 168.2 13.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.435 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 tt -154.65 131.32 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.279 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 17' ' ' GLU . 3.5 m-85 -104.15 138.89 39.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.639 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.584 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -108.72 105.73 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.985 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.584 ' O ' ' O ' ' A' ' 11' ' ' THR . 1.0 OUTLIER 49.24 132.62 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.526 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -31.65 0.08 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.673 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.524 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.1 t70 -55.55 -40.31 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.54 95.91 4.8 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.15 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 65.1 Cg_endo -86.63 69.62 4.24 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.686 2.257 . . . . 0.0 112.501 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 4.5 tp10 64.95 -65.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.054 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 16' ' ' PRO . 38.2 tt0 -165.75 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -150.56 -84.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -72.22 129.3 87.8 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.675 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -87.73 116.35 1.08 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.924 2.416 . . . . 0.0 112.158 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.477 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -100.15 -70.16 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.127 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.412 HG12 ' CD2' ' A' ' 10' ' ' PHE . 12.3 p -53.1 -19.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.793 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -44.29 -36.61 2.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 6.8 p90 -65.23 -33.67 76.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.674 0.273 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -71.78 -30.29 65.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.96 0.409 . . . . 0.0 110.264 179.505 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.93 61.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.54 25.05 5.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.617 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.66 -17.47 55.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 111.207 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.69 39.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.019 0.438 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.27 42.09 31.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 142.39 36.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.78 110.61 19.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.81 151.44 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -168.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.39 80.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -170.19 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.051 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -48.8 95.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.427 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -108.73 125.65 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.438 ' CD1' ' CE1' ' A' ' 55' ' ' PHE . 3.4 mm -108.48 163.52 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.215 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.2 119.27 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 10' ' ' PHE . 28.0 mt -102.3 125.56 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.6 mt -128.57 137.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.81 129.1 27.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.8 mp -145.53 73.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.567 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.35 -81.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.3 37.96 1.8 Allowed Glycine 0 C--N 1.334 0.425 0 C-N-CA 121.232 -0.509 . . . . 0.0 112.907 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.3 43.51 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 110.525 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 68.59 66.4 0.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.818 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.6 p -161.1 -174.56 4.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -153.83 144.57 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -90.78 159.89 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.9 t -137.45 141.48 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.75 130.79 30.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.438 ' CE1' ' CD1' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -92.84 112.42 24.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.11 86.37 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -30.15 60.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.82 93.72 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 65' ' ' ILE . 6.1 t80 -105.04 91.89 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.44 -178.08 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.78 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p 60.69 -179.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HA ' ' CG1' ' A' ' 65' ' ' ILE . 5.9 m -146.53 178.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t0 74.7 -57.22 0.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.498 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -40.3 25.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.361 . . . . 0.0 110.949 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 59' ' ' TYR . 2.5 pp -61.18 -32.17 52.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -75.82 -43.67 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.004 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -74.41 -37.2 63.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.53 -40.81 92.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.805 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.86 -44.26 64.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.737 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.71 -38.22 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.738 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 3.7 tt0 -68.17 -43.02 79.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.742 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.19 10.03 13.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.95 -59.08 0.96 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.731 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.16 -2.76 6.98 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -77.67 -157.19 0.09 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.119 -0.233 . . . . 0.0 110.616 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mt -44.62 159.15 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-O 120.772 0.32 . . . . 0.0 111.373 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -78.87 56.64 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.283 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.9 m170 45.01 29.65 0.49 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.533 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 80' ' ' THR . 0.6 OUTLIER 45.38 -166.03 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.433 ' N ' ' CG2' ' A' ' 79' ' ' THR . 10.1 t -69.54 62.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 111.4 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt 44.63 27.77 0.27 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.942 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.05 -42.01 27.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.819 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.0 tt -57.9 -41.21 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.701 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.41 -43.34 97.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.093 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.75 -19.69 65.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.502 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.8 -32.78 23.29 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.691 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -171.19 68.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.857 0.361 . . . . 0.0 111.321 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.985 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.453 ' CD2' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.81 0.338 . . . . 0.0 110.802 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.453 ' CD1' ' CD2' ' A' ' 2' ' ' PHE . 1.8 mp 62.2 112.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.08 97.42 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.031 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.89 144.26 52.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.38 140.13 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -148.74 136.97 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.89 136.61 5.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.575 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.06 105.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.534 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 3.3 m-85 -100.06 137.37 38.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.77 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 14' ' ' ASP . 3.1 p -103.49 114.99 29.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 11' ' ' THR . 9.0 tp -2.4 -79.01 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -43.98 62.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.358 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' THR . 12.2 m-20 -91.5 38.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.223 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.534 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -47.07 -62.6 1.89 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.943 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.453 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 90.0 Cg_endo -78.18 50.7 3.42 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.758 2.305 . . . . 0.0 113.159 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -40.38 -31.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.235 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.43 ' C ' ' CG ' ' A' ' 19' ' ' PHE . 26.4 mt-10 -65.56 -68.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.829 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -170.89 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.576 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 12.7 tpt85 -53.78 130.32 56.25 Favored Pre-proline 0 CA--C 1.531 0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.805 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HA ' ' HG3' ' A' ' 16' ' ' PRO . 31.9 Cg_endo -93.15 108.94 0.19 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.282 2.655 . . . . 0.0 112.67 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -100.45 -81.91 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.257 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . 0.439 ' CG1' ' CD1' ' A' ' 15' ' ' LEU . 3.1 p -72.06 -7.72 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.578 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -51.14 -28.16 10.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.905 0.383 . . . . 0.0 110.006 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 29' ' ' LEU . 5.3 p90 -54.09 -37.71 64.54 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.014 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -44.53 67.52 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.332 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.68 67.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.074 0.464 . . . . 0.0 109.963 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.63 32.34 4.87 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.107 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 1.3 tt -71.73 52.76 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER 85.26 62.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.305 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 tptp 61.23 45.95 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.093 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -65.52 -66.04 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.538 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -176.87 122.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.581 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.48 42.48 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.106 0.479 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' ASP . 31.4 t -100.41 94.84 6.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.512 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.77 83.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.968 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 3.6 m-20 -170.26 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.914 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.7 140.11 3.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.182 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.33 133.45 44.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.282 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.6 mt -147.96 125.94 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.823 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.04 142.38 51.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.918 0.39 . . . . 0.0 111.424 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.45 ' CD1' ' CG ' ' A' ' 10' ' ' PHE . 4.1 mp -122.93 134.84 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.787 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 pt -139.11 155.83 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 111.546 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -119.52 165.44 14.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.477 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.9 pt -149.6 41.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 111.554 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.61 25.44 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.83 73.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.316 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 49' ' ' GLN . 1.7 p 69.21 -63.25 0.38 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.647 0.261 . . . . 0.0 110.758 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . 0.43 ' N ' ' OG1' ' A' ' 48' ' ' THR . 1.4 tt0 179.24 59.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.6 p -169.87 -174.46 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.58 165.23 31.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -113.87 135.01 54.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.2 p -100.54 128.26 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mt -126.28 133.59 51.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.92 133.26 35.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.639 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.57 79.54 4.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.947 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -75.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.77 76.02 4.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.45 ' CD2' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -126.79 94.93 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -137.17 -62.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.4 p -88.32 132.11 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.2 m -61.3 179.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.13 -66.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.18 -28.87 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 26.4 pt -95.99 -38.8 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -60.81 -49.1 78.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -66.0 -31.89 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.18 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 tp -65.44 -50.73 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.25 -33.43 58.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 0.0 110.544 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.96 -43.25 99.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.345 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.28 -20.33 51.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.067 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.32 -65.62 3.24 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.65 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.39 50.2 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.948 0.404 . . . . 0.0 111.484 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.02 159.08 15.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.3 mp -56.09 129.84 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.77 96.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -101.94 -31.46 10.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.676 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -58.03 -82.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.709 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.406 ' CG2' ' C ' ' A' ' 79' ' ' THR . 0.1 OUTLIER 50.18 -65.21 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.317 0.647 . . . . 0.0 112.284 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.676 ' N ' ' O ' ' A' ' 79' ' ' THR . 0.3 OUTLIER 80.17 -11.3 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.145 -178.762 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -53.41 6.54 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.232 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.1 -34.24 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.013 0.435 . . . . 0.0 110.263 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 tp -66.49 -36.52 82.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.153 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.68 -28.08 67.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.623 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -111.4 13.65 28.02 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.828 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -113.34 -35.66 5.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.797 0.332 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.872 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.643 0.258 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mt 52.6 85.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.776 0.322 . . . . 0.0 111.302 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.41 107.65 18.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.4 p -78.51 108.69 12.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 102.74 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -98.46 118.67 35.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.788 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.47 112.89 2.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.66 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -90.29 78.74 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.557 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 6.7 m-30 -94.19 87.67 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.2 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.7 t -106.18 158.24 16.98 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER 39.49 -166.49 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.807 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -22.66 49.18 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.822 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . 0.457 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 8.2 t70 -86.63 16.12 4.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.305 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.654 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 3.9 pp -70.41 -24.22 0.75 Allowed Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 76.6 Cg_exo -54.39 59.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.483 2.122 . . . . 0.0 113.878 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 15' ' ' LEU . 2.8 tp10 31.28 36.13 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.136 0.574 . . . . 0.0 112.446 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' PRO . 2.6 tm-20 46.9 27.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.301 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 55.7 m-85 -159.0 -79.63 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.35 126.38 27.65 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.005 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' CA ' ' HB3' ' A' ' 16' ' ' PRO . 18.4 Cg_exo -66.12 112.47 2.3 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.569 2.18 . . . . 0.0 112.635 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.03 -67.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.418 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.5 m -81.28 -3.63 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.179 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.59 -24.37 60.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.801 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 1.7 p90 -65.26 -37.85 88.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.491 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.489 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -64.25 -26.21 68.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.482 179.509 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -30.07 66.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.61 27.25 5.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.685 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -80.07 -18.72 49.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.727 0.299 . . . . 0.0 111.261 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 1.2 tt0 -149.35 39.1 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.146 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 44.08 38.13 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.826 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -51.09 -26.14 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.245 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.21 123.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -156.68 149.44 23.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.666 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 t -100.2 -81.92 0.46 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -142.79 18.68 1.99 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.222 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.99 -18.94 16.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.988 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 88.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.005 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -98.51 121.18 40.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.2 mm -119.5 150.66 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.7 113.22 4.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.42 HD13 ' CE2' ' A' ' 10' ' ' PHE . 15.1 mt -98.42 112.52 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 mt -105.14 134.09 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.805 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . 0.438 ' HB3' ' HA ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -153.82 125.13 7.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.243 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.7 mp -81.58 -29.32 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.257 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -129.88 -175.07 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.104 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.76 -23.27 3.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.784 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.9 t -103.5 -27.39 12.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -102.98 -71.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.04 141.33 40.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.947 0.403 . . . . 0.0 111.181 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 44' ' ' SER . 8.8 t-20 -179.96 75.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.46 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -118.39 154.75 31.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.411 . . . . 0.0 111.49 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.36 121.85 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.808 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 mt -100.21 155.31 17.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.978 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -113.56 140.26 48.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.788 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.79 132.18 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -88.54 -55.71 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.59 148.47 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CZ ' HD13 ' A' ' 65' ' ' ILE . 10.2 t80 -137.8 139.18 39.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -142.08 -171.82 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.639 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.6 p -103.62 109.82 21.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.41 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 0.9 OUTLIER -151.04 19.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.657 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.17 -58.11 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.723 0.297 . . . . 0.0 111.644 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -58.17 -41.98 85.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.966 0.413 . . . . 0.0 110.686 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.452 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 2.1 pp -52.06 -46.01 42.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.086 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -81.82 -36.3 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -59.54 -35.66 74.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.48 -44.05 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.25 -53.97 50.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.36 -36.42 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.46 -29.24 46.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.27 69.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.19 -31.29 10.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.537 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.68 54.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.031 0.443 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -169.36 0.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.996 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mt -84.9 -61.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.233 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -105.95 -25.82 11.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 64.52 -176.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t 43.24 92.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.462 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -122.3 -56.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.67 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 80' ' ' THR . 11.3 mt 71.73 -42.62 0.54 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.936 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -54.06 -44.56 71.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.592 0.234 . . . . 0.0 111.359 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 pt -61.3 -35.14 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.373 . . . . 0.0 110.602 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.0 -34.45 78.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.301 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -24.16 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.509 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.11 -31.74 37.82 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.693 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -132.05 34.58 3.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 111.349 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.971 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 p90 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.99 124.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.55 108.38 19.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.0 167.85 11.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.61 90.72 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -112.11 154.08 26.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.33 164.83 38.2 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . 0.409 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 3.3 mp -115.56 111.59 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.906 0.384 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 3.4 m-30 -109.52 111.32 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.813 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.408 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -76.54 133.69 39.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.348 179.578 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 2.0 mm? -45.08 -31.53 1.41 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.688 0.28 . . . . 0.0 111.583 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' CE ' ' HB3' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.05 -66.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.655 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.29 48.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.538 ' HB2' ' HD3' ' A' ' 16' ' ' PRO . 46.5 mt -50.52 -47.57 83.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.549 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 15' ' ' LEU . 8.2 Cg_endo -89.26 47.76 1.08 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.814 2.343 . . . . 0.0 112.608 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.9 tt0 -16.65 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.988 0.805 . . . . 0.0 112.145 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 2.1 mm-40 -77.52 -68.12 0.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.722 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.609 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 94.7 m-85 -168.62 -63.22 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -40.72 100.6 0.22 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.476 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.1 99.35 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.937 2.425 . . . . 0.0 112.449 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.22 -72.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 m -65.74 -7.01 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.849 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 17.6 p-10 -48.03 -28.91 3.08 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.043 0.449 . . . . 0.0 110.572 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.5 p90 -63.16 -30.19 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.642 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -69.54 -31.03 68.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.469 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.6 -13.56 60.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.863 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.69 26.7 2.38 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.802 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' TYR . 1.4 pt? -66.54 -14.2 62.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.74 0.305 . . . . 0.0 111.445 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -171.41 66.54 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.664 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 1.8 pttp 51.47 37.49 19.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.322 0.582 . . . . 0.0 110.788 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -99.45 28.82 4.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -78.28 88.34 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.26 -173.74 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.27 -173.09 2.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -59.62 90.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.818 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -161.85 -43.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.409 ' HB3' ' CG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -82.68 157.42 23.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.902 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -149.52 169.64 20.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.8 mt -136.09 159.92 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.271 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.37 113.14 15.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.797 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.426 HD11 ' CG ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -106.74 135.5 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.252 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 mt -138.83 125.28 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.82 118.33 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.4 mm -81.07 -37.91 16.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -165.38 119.63 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.661 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.9 -29.1 61.48 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.605 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.3 m -83.24 -28.4 29.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -82.71 -67.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.15 165.33 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -114.57 168.54 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.491 ' CE1' ' CE1' ' A' ' 78' ' ' HIS . 37.4 m-70 -137.47 142.46 41.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 p -134.34 121.93 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.5 mt -132.44 143.28 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -107.44 145.44 32.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -106.23 119.94 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -42.52 60.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.46 -82.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.5 t80 49.7 94.03 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.173 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -148.48 98.79 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t 57.4 81.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.8 m -162.81 119.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.82 -27.05 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.36 -58.07 9.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.7 mt -65.7 -35.88 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -61.54 -37.82 85.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -83.96 -31.09 25.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -68.56 -54.29 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.5 -51.45 69.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -52.82 -28.74 24.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.586 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLU . . . . . 0.406 ' HA ' ' CB ' ' A' ' 75' ' ' LYS . 2.5 mt-10 -67.67 -45.47 75.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -15.25 63.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.287 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.1 -67.26 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.815 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.33 -6.02 12.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -100.01 -145.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.587 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.6 mt -40.0 134.39 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.834 0.35 . . . . 0.0 111.562 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -55.58 177.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.491 ' CE1' ' CE1' ' A' ' 52' ' ' HIS . 11.7 m80 -81.11 -24.6 37.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 p 59.02 54.4 5.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 p 57.79 -164.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.62 -4.79 36.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.474 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -48.61 -31.7 7.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.712 0.291 . . . . 0.0 111.208 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 pt -63.87 -33.68 63.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.747 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 4.0 mp -66.08 -40.64 90.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.172 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -25.31 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.342 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.28 -35.72 47.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.516 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.14 76.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.418 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.952 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.7 tp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.815 0.341 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -168.9 -60.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.25 135.07 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.7 95.01 4.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 p -134.03 142.04 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.28 109.42 10.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -103.57 140.12 37.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.75 148.62 20.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.402 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.7 mt -108.27 92.91 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.988 0.423 . . . . 0.0 111.201 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.491 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 3.6 m-85 -89.38 119.55 29.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.7 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.9 p -143.65 162.71 35.23 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.599 0.714 . . . . 0.0 112.355 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.417 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.0 OUTLIER 45.35 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.805 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 25.3 mmtp -72.51 -18.41 61.66 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.592 179.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -89.08 15.47 8.67 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.637 179.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.591 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.6 OUTLIER -59.27 -31.02 8.63 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 33.3 Cg_exo -62.06 64.57 0.12 Allowed 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.345 2.03 . . . . 0.0 112.934 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 16' ' ' PRO . 10.7 mt-10 -20.64 97.29 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.931 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 0.6 OUTLIER 79.87 -62.36 0.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.182 -179.698 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 4.6 m-85 -171.43 37.95 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.586 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -112.97 76.64 2.33 Favored Pre-proline 0 C--N 1.33 -0.263 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.46 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.3 55.72 5.48 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.617 2.212 . . . . 0.0 112.388 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -74.0 -68.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.41 HG23 HD11 ' A' ' 15' ' ' LEU . 3.5 m -62.31 -13.81 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.774 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -46.26 -30.11 1.89 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.869 0.366 . . . . 0.0 110.966 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -61.11 -34.8 75.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.13 79.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.43 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.756 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.03 18.12 11.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.573 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.47 HD11 ' N ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -57.54 -20.63 33.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.786 0.327 . . . . 0.0 111.458 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' N ' ' CD1' ' A' ' 29' ' ' LEU . 16.5 tt0 -179.73 45.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.43 46.12 7.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.775 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -68.65 -168.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -59.45 127.83 34.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 18.2 mt -144.71 54.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -100.22 39.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.65 22.52 6.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.15 24.86 5.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.901 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.7 86.8 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -97.62 125.68 42.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.312 -179.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.17 129.63 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.67 123.99 35.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.5 mt -118.8 120.67 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 2.6 mt -127.44 127.26 68.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 p -107.02 121.68 44.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.781 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.0 pt -120.15 179.37 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 65.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.89 50.82 0.79 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.75 43.94 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.035 0.445 . . . . 0.0 110.758 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 66.38 67.39 0.45 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.6 m -163.92 -174.26 3.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -158.68 -178.51 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -142.35 160.28 40.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -114.2 168.19 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -156.16 114.16 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 20.7 t80 -71.59 132.1 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.715 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mp -117.41 135.47 53.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.9 m -99.71 -33.98 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.751 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -166.17 114.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 72.9 t80 -110.05 -24.78 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.064 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -73.2 103.02 3.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 t -167.87 -81.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 p -163.62 177.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.058 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -42.94 -25.92 0.12 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -41.79 -32.36 0.39 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.492 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -110.5 -20.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.721 0.296 . . . . 0.0 111.33 179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.7 ttm-85 -57.91 -51.52 69.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.891 0.377 . . . . 0.0 110.709 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -76.67 -31.61 57.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.672 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.86 -36.92 85.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tp -78.78 -39.05 36.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.687 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.16 -43.89 78.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.999 0.428 . . . . 0.0 110.555 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.86 -45.8 63.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.252 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.11 -24.33 25.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.061 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -81.96 -37.17 16.58 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.596 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.94 72.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.824 0.345 . . . . 0.0 111.387 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -100.0 -168.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.776 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 6.9 tp -86.21 -44.83 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.802 -179.556 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -85.7 -88.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.257 -179.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 57.06 175.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.794 0.33 . . . . 0.0 110.968 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.52 30.89 19.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -100.77 -27.67 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 tp 77.27 -0.46 2.88 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.576 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -61.72 1.93 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.729 0.3 . . . . 0.0 110.669 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 pt -54.81 -29.92 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.445 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 mt -68.92 -36.91 78.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.063 179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -29.83 70.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.46 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.99 -27.21 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.425 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.1 -52.17 4.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.1 mm? . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.869 -179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.797 0.332 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -141.15 27.13 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 mm -74.88 140.51 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.37 93.43 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -98.57 74.36 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.596 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.54 153.09 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.66 75.92 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.16 107.52 2.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 pt -73.13 82.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 111.374 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.46 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 2.2 m-30 -69.94 135.34 49.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.448 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.447 ' O ' ' HB3' ' A' ' 15' ' ' LEU . 64.7 p -138.56 146.78 42.26 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.762 0.792 . . . . 0.0 112.798 -178.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' O ' ' HB3' ' A' ' 15' ' ' LEU . 0.6 OUTLIER 41.38 -164.31 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.701 179.605 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -21.07 64.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.294 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.431 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -86.7 14.36 7.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.371 . . . . 0.0 110.96 179.378 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.611 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 1.3 pt? -68.11 -18.63 0.43 Allowed Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.611 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 3.8 Cg_exo -79.23 53.82 4.89 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 121.729 1.619 . . . . 0.0 112.52 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.69 80.83 1.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.714 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -178.41 -31.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.457 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -166.52 -79.33 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.175 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.18 172.46 5.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.964 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.407 ' HA ' ' CG ' ' A' ' 16' ' ' PRO . 85.5 Cg_exo -45.62 92.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.677 2.252 . . . . 0.0 112.692 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 23.1 t80 -85.78 -75.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 29.3 m -62.38 -14.29 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.256 179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -47.24 -28.3 1.86 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.981 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 3.6 p90 -62.09 -33.48 74.51 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.778 0.323 . . . . 0.0 110.402 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 20.5 tttt -79.78 -28.92 40.26 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.25 -21.87 53.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.348 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.64 36.03 1.74 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.352 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.413 ' N ' ' O ' ' A' ' 25' ' ' TYR . 1.4 pt? -47.96 -24.46 1.06 Allowed 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 1.2 tt0 -158.02 69.14 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.426 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.416 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 47.96 43.24 17.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.279 0.561 . . . . 0.0 110.784 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -74.38 4.14 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.768 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 76.64 132.01 0.05 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.9 0.381 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 2.0 mm? -100.22 108.7 20.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.17 174.62 7.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -108.87 -26.38 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -86.87 -15.63 38.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.308 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.31 157.12 2.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.874 0.368 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -151.79 148.24 27.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.4 mm -131.88 147.98 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.32 115.83 25.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.194 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 25.4 mm -109.02 101.83 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mm -98.02 142.89 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -139.8 147.74 41.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.445 ' CG1' ' HB2' ' A' ' 51' ' ' ASN . 0.8 OUTLIER -155.24 164.4 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.651 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.09 67.83 0.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.155 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.49 14.59 59.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.468 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m 75.99 2.54 3.65 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 179.58 61.99 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.739 0.304 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m 65.24 -163.95 0.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.601 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.477 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 44.8 t30 -130.3 -104.51 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.425 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.486 ' CE1' ' CD2' ' A' ' 78' ' ' HIS . 5.0 p-80 -151.6 170.03 20.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.834 0.35 . . . . 0.0 111.15 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.06 150.29 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.167 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.94 148.41 52.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -101.37 108.54 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 12.5 mt -85.99 91.79 8.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.7 p -66.89 -50.69 61.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.22 106.93 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.43 ' CE1' ' HB ' ' A' ' 65' ' ' ILE . 76.2 t80 -62.43 144.07 56.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 14.0 m120 -90.13 -160.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.753 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.5 t -133.84 -44.92 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.3 . . . . 0.0 111.063 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.6 m -52.55 168.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.346 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.82 -20.65 52.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -53.82 -24.01 14.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 111.039 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.43 ' HB ' ' CE1' ' A' ' 59' ' ' TYR . 2.5 pp -55.99 -41.91 69.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.444 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.11 -38.77 35.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.78 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -58.22 -50.08 74.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.182 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -60.42 -51.45 69.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.08 -58.67 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.219 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.18 -33.37 8.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -63.26 -43.9 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.337 179.368 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.27 -24.44 46.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.121 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.66 -65.67 3.41 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.382 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.55 28.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.041 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.24 -77.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.167 0.508 . . . . 0.0 111.032 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 16.9 mm -67.04 159.9 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.137 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -59.35 -22.43 61.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.486 ' CD2' ' CE1' ' A' ' 52' ' ' HIS . 56.7 t-80 63.94 165.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.469 ' CG2' ' O ' ' A' ' 78' ' ' HIS . 4.5 t 56.93 137.69 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.585 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER 168.64 -31.22 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.782 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 4.3 mt 70.79 2.5 4.19 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.762 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -86.17 -45.65 11.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 110.515 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 8.4 pt -61.0 -32.55 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.426 179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.401 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 3.9 mp -69.31 -45.51 69.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.804 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.87 -20.39 66.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.372 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.4 -32.21 25.8 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.826 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -169.15 65.04 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.823 0.344 . . . . 0.0 111.297 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.401 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 7.9 tp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.013 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.817 0.342 . . . . 0.0 111.226 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.6 t80 56.68 35.92 26.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.1 mm 65.59 68.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.18 88.13 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.9 p -97.96 165.7 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' N ' ' CD1' ' A' ' 6' ' ' LEU . 0.0 OUTLIER -155.53 171.32 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.616 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.59 140.71 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 111.175 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.65 115.69 5.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.248 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.8 mt -94.43 109.85 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 111.463 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' HB3' ' HA ' ' A' ' 16' ' ' PRO . 0.0 OUTLIER -143.61 162.59 35.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.013 179.549 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.437 ' O ' ' N ' ' A' ' 15' ' ' LEU . 3.6 p -151.84 160.89 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 111.173 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.526 ' HG ' ' HB1' ' A' ' 27' ' ' ALA . 3.6 tt -48.3 -29.86 4.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.222 0.534 . . . . 0.0 110.815 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.547 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -100.15 -33.94 10.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.646 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -100.16 40.18 1.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.369 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 11' ' ' THR . 1.1 mp -26.93 143.29 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.781 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.445 ' HA ' ' HB3' ' A' ' 10' ' ' PHE . 99.1 Cg_exo -44.66 94.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.758 2.305 . . . . 0.0 112.3 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.4 -5.54 24.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.504 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -66.72 -35.21 79.59 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.694 0.283 . . . . 0.0 111.579 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -170.22 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.449 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 7.9 ttm180 -135.15 137.53 27.05 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-O 120.669 0.271 . . . . 0.0 111.641 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD2' ' HG2' ' A' ' 20' ' ' ARG . 51.7 Cg_exo -54.52 104.86 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.723 2.282 . . . . 0.0 112.697 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -100.37 -28.48 12.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 14.7 p -100.1 -13.79 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.819 -179.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -48.78 -27.96 3.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -62.78 -40.43 97.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.552 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -24.54 67.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.612 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.526 ' HB1' ' HG ' ' A' ' 12' ' ' LEU . . . -72.39 -38.89 68.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.848 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -79.7 -19.38 70.91 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.605 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -8.36 68.17 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.38 1.072 . . . . 0.0 113.055 -179.379 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.617 ' N ' ' O ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER 98.68 58.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.334 -1.303 . . . . 0.0 112.092 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 12.7 pttp 46.69 42.35 11.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.312 0.577 . . . . 0.0 110.925 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.5 tttt -69.4 -6.59 31.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.697 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 69.52 -172.94 0.18 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.7 0.286 . . . . 0.0 110.865 -179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.485 ' CG ' HD23 ' A' ' 12' ' ' LEU . 2.6 mp -108.74 84.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 111.385 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.443 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -100.22 140.24 34.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.977 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.512 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 13.7 m-20 -58.71 -16.38 16.26 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.705 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -78.2 3.57 14.88 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.403 ' O ' ' HB ' ' A' ' 11' ' ' THR . 18.2 m-20 -95.9 103.05 14.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.61 0.243 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.54 136.85 53.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.439 HG13 ' CE2' ' A' ' 55' ' ' PHE . 3.1 mp -136.52 149.96 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.449 . . . . 0.0 111.606 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.66 96.5 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.881 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.42 HD11 ' CE1' ' A' ' 10' ' ' PHE . 42.2 mt -82.74 136.71 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.4 mm -118.71 152.44 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.076 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.74 122.03 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.411 HD13 HG21 ' A' ' 45' ' ' ILE . 8.3 pt -114.97 -42.48 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.236 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -178.03 37.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.29 52.42 0.69 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 50.02 71.01 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.815 0.34 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 61.2 31.72 19.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 p -178.29 -176.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -174.39 -81.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.29 174.9 10.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.7 t -148.2 114.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.986 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.6 mt -108.27 165.57 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.439 ' CE2' HG13 ' A' ' 40' ' ' ILE . 1.3 t80 -118.71 111.64 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.82 138.46 57.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -99.96 -76.18 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.1 t -110.43 -77.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.075 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 9.1 t80 63.81 119.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -130.89 35.98 3.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.064 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 t 60.42 30.73 20.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.405 ' CG2' ' CD1' ' A' ' 65' ' ' ILE . 6.5 m -97.98 144.06 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.64 -27.59 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.57 -31.9 73.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.405 ' CD1' ' CG2' ' A' ' 62' ' ' VAL . 17.3 mt -105.45 -29.05 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -43.47 92.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.779 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.7 -29.83 62.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -58.23 -45.22 88.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.97 -57.11 5.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.698 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -49.25 -37.14 22.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.126 0.489 . . . . 0.0 110.125 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -63.32 -53.82 46.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.061 179.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -61.16 -22.88 65.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.657 179.393 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -63.03 -46.58 93.17 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.445 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.78 61.5 0.47 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -99.36 -93.96 0.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.817 179.302 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 21.3 mt -100.25 26.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.205 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p30 44.27 30.28 0.44 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.516 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.2 m80 57.23 105.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 t -112.25 -35.08 5.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.2 p -132.36 165.87 23.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.5 mt -101.18 4.57 42.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.32 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -28.26 67.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.727 0.299 . . . . 0.0 110.941 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 18.6 tt -59.02 -45.7 92.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.805 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' HA ' ' HB2' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -60.19 -45.28 93.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.047 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.65 -23.25 66.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.228 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.64 -33.71 55.22 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.52 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.407 ' CG ' ' O ' ' A' ' 87' ' ' HIS . 22.1 p-80 -168.98 70.04 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.904 0.383 . . . . 0.0 111.329 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.445 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.87 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.781 0.324 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -116.28 107.9 15.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.418 HD13 HG22 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -59.25 117.3 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -78.22 123.83 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.4 p -88.75 107.06 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -95.59 116.98 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.15 90.77 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.55 173.76 54.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.045 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.8 tt -159.88 135.1 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.975 0.417 . . . . 0.0 111.492 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.433 ' CZ ' ' HB2' ' A' ' 17' ' ' GLU . 3.0 m-85 -117.8 77.69 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.305 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 66.3 p -79.68 134.83 36.43 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.305 0.574 . . . . 0.0 111.209 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 1.2 pt? 46.52 -174.69 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.159 -179.604 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.2 mtmp? -89.07 -7.13 56.44 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.834 -179.084 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.526 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 6.9 t70 -88.2 -19.67 26.58 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.829 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -102.43 40.68 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.526 ' CD ' ' C ' ' A' ' 14' ' ' ASP . 83.5 Cg_endo -79.7 54.95 5.43 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.866 1.71 . . . . 0.0 112.666 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.433 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 35.3 tt0 56.77 -84.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -137.61 -30.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.685 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.525 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -170.18 -92.21 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.304 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.99 104.08 0.36 Allowed Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.97 125.55 4.78 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.596 2.198 . . . . 0.0 112.216 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -91.9 -13.0 31.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.273 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 27.6 m -100.26 -13.57 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.89 -35.94 25.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.674 0.273 . . . . 0.0 111.292 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CD1' ' O ' ' A' ' 22' ' ' PHE . 7.8 p90 -58.66 -42.57 88.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.352 . . . . 0.0 110.699 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -25.29 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.445 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.01 -22.41 58.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.275 179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.94 16.68 7.74 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.084 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 1.3 mp -100.18 36.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.91 0.355 . . . . 0.0 111.276 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -176.0 43.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.984 0.421 . . . . 0.0 111.113 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.31 32.64 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.362 0.601 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -100.47 149.8 23.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -76.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.51 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.9 tp -170.15 -167.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.377 179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 17.7 m -90.36 44.58 1.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.452 -179.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -57.93 -32.2 67.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.236 0.541 . . . . 0.0 109.9 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.88 16.28 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.392 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.5 t0 -80.82 142.96 33.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.074 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -123.06 105.74 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.706 179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 mm -111.26 149.24 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.93 149.74 34.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.375 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.459 HG21 HD12 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -134.76 114.66 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.984 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 24.6 mm -99.13 114.44 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 16.1 p -98.98 130.78 45.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.506 HD11 HG22 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -157.54 43.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.753 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? 65.8 -74.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.059 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.51 -88.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.281 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.552 ' O ' ' HB3' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -117.38 -33.03 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.552 ' HB3' ' O ' ' A' ' 48' ' ' THR . 2.0 pm0 161.89 33.27 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.717 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.418 ' HB3' ' O ' ' A' ' 49' ' ' GLN . 7.5 p 177.8 -159.06 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.713 0.292 . . . . 0.0 110.601 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -121.14 -173.26 2.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.14 145.19 49.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.9 t -97.91 157.38 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.328 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.9 mt -169.97 148.59 3.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.773 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -70.1 156.79 38.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -126.95 136.46 52.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . 0.417 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -98.74 159.35 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.85 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t -111.84 129.82 56.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.027 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.511 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER 176.8 98.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -37.76 -62.14 0.57 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.914 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.528 ' O ' HG21 ' A' ' 62' ' ' VAL . 14.0 p -70.97 -153.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 61' ' ' SER . 1.0 OUTLIER 82.57 -39.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.293 0.637 . . . . 0.0 112.604 179.677 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.474 ' N ' HG23 ' A' ' 62' ' ' VAL . 0.0 OUTLIER 68.52 -46.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.847 0.356 . . . . 0.0 111.34 179.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.435 ' HG2' HG22 ' A' ' 62' ' ' VAL . 3.7 pt-20 -48.23 -24.99 1.33 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.615 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.446 ' CG1' ' CG2' ' A' ' 62' ' ' VAL . 6.3 mt -33.34 -65.05 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.053 0.454 . . . . 0.0 111.135 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -33.6 44.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -54.54 -37.88 65.94 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.039 0.447 . . . . 0.0 110.737 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -49.15 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.699 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.3 mp -59.07 -45.05 91.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -31.94 70.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.178 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.455 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 5.5 tt0 -69.44 -47.06 65.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.472 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.4 7.01 27.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.43 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.23 -53.11 2.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.824 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -154.55 28.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.577 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -85.9 -151.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.603 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -36.71 -83.56 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 174.42 -179.96 0.11 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.904 0.383 . . . . 0.0 111.212 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -111.67 67.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 m -94.37 -67.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.74 -54.05 18.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 10.8 mt 61.92 24.41 14.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.81 -45.28 86.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 pp -56.46 -37.11 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.998 179.737 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.7 tt -65.77 -32.44 73.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.45 179.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -71.64 -29.95 65.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.718 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.82 -28.83 17.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.344 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -33.63 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 4.4 mt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.905 -179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.854 0.359 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -124.66 -83.07 0.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.983 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 3' ' ' ILE . 3.5 mp 47.71 90.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.813 0.34 . . . . 0.0 111.258 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.01 81.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.1 p -70.15 112.83 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 179.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -73.95 77.28 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -99.94 109.89 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.752 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.57 156.87 15.48 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.537 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.2 mt -97.57 157.97 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 0.0 111.148 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.498 ' CE2' ' CG2' ' A' ' 23' ' ' VAL . 4.4 m-85 -144.02 53.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 12' ' ' LEU . 10.1 t -83.89 124.92 31.49 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.752 0.787 . . . . 0.0 111.427 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.413 ' O ' ' O ' ' A' ' 11' ' ' THR . 6.3 mp 56.09 160.1 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.685 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -74.96 5.88 4.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.533 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.539 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -87.76 -25.48 23.39 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.303 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.543 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -101.01 34.11 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.539 ' CD ' ' C ' ' A' ' 14' ' ' ASP . 84.3 Cg_exo -45.27 83.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.154 1.902 . . . . 0.0 113.034 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' LEU . 3.3 tt0 12.39 -79.07 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.576 0.75 . . . . 0.0 112.896 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 3.8 tp10 -99.77 -46.62 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.051 0.453 . . . . 0.0 111.419 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 40.9 m-85 -170.25 -60.27 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.444 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -138.47 74.86 39.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.888 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.424 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 76.1 Cg_exo -50.93 -171.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.167 2.578 . . . . 0.0 113.87 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -92.9 -31.88 14.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.962 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.498 ' CG2' ' CE2' ' A' ' 10' ' ' PHE . 21.4 m -67.51 -10.35 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.5 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -47.72 -28.83 2.66 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.787 0.327 . . . . 0.0 110.696 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -59.85 -34.81 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.105 0.478 . . . . 0.0 109.936 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.601 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 26.6 tttp -58.82 -33.54 70.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.34 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.78 -26.26 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.285 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.06 26.43 6.76 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.067 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.601 ' HG ' ' HA ' ' A' ' 26' ' ' LYS . 16.1 mt -37.65 -71.04 0.08 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.153 0.501 . . . . 0.0 112.101 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 13.3 tp10 -177.54 94.76 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.678 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 30' ' ' GLU . 3.7 ttpt 82.45 40.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -173.24 2.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.456 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.58 112.92 19.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.89 0.376 . . . . 0.0 110.781 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -92.4 46.88 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 p -100.17 30.34 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.78 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 70.34 11.84 7.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.18 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -88.2 12.25 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.496 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.5 t0 -80.72 113.31 18.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.76 0.314 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -113.43 118.43 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.724 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.4 ' CD1' ' N ' ' A' ' 40' ' ' ILE . 1.5 mp -145.71 165.93 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.19 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -137.55 116.43 12.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.628 179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.454 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 1.2 tp -86.9 142.64 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 111.316 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.441 HG22 HD12 ' A' ' 43' ' ' ILE . 24.1 mt -145.99 142.11 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.4 t -155.8 146.81 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.661 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.415 ' CD1' ' ND2' ' A' ' 51' ' ' ASN . 3.1 mp -121.15 -81.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.184 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.9 41.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 111.004 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.56 14.31 63.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.742 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.401 ' O ' ' HG2' ' A' ' 49' ' ' GLN . 2.2 p 64.15 12.47 7.07 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.546 0.212 . . . . 0.0 111.404 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.401 ' HG2' ' O ' ' A' ' 48' ' ' THR . 12.3 mm100 -157.13 27.69 0.3 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.66 0.267 . . . . 0.0 110.823 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.05 169.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.499 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.459 ' ND2' ' CD2' ' A' ' 52' ' ' HIS . 20.5 t-20 -91.44 -94.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.459 ' CD2' ' ND2' ' A' ' 51' ' ' ASN . 22.8 m-70 -154.18 -170.94 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.358 . . . . 0.0 111.137 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.7 p -154.22 136.74 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.3 mt -129.75 150.31 51.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.075 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.405 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 3.0 p90 -90.94 121.51 32.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -62.28 114.03 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.3 p -100.07 -165.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.813 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -96.98 84.79 3.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -75.94 -176.54 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -98.53 -67.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -123.35 -176.27 3.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.989 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.58 33.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -109.09 -54.55 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.35 -33.52 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.34 -31.35 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -65.71 -60.47 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -59.98 -30.82 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.87 -55.35 13.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.54 -52.32 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -53.45 -43.96 68.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.71 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.412 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 4.1 tt0 -66.67 -37.15 84.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.649 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' HB1' ' CE1' ' A' ' 78' ' ' HIS . . . -84.5 3.44 36.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.337 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.26 -59.93 1.27 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.531 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -129.13 -1.99 5.13 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -100.19 -170.5 1.88 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.821 0.343 . . . . 0.0 111.122 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -76.49 -165.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 77.83 88.47 0.07 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.443 ' NE2' ' CD2' ' A' ' 52' ' ' HIS . 0.1 OUTLIER -178.52 -178.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.804 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' OG1' ' A' ' 80' ' ' THR . 0.2 OUTLIER 61.33 171.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.944 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 79' ' ' THR . 1.6 p 81.12 -22.29 0.28 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.755 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.9 mt 61.02 18.0 8.51 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.684 0.278 . . . . 0.0 111.377 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -81.72 -52.59 7.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.783 0.325 . . . . 0.0 110.727 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 23.9 pt -59.17 -34.63 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.62 179.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.71 -34.38 71.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.136 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.98 -30.17 63.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.561 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.63 -26.05 16.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -101.48 -56.49 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 110.8 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.793 0.33 . . . . 0.0 111.206 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.74 173.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 mm -107.59 133.14 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.61 54.92 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.91 105.78 3.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.74 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.46 123.28 40.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.967 -179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -120.03 97.6 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 179.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.83 122.5 5.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.527 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.1 tt -100.83 118.83 48.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.945 0.402 . . . . 0.0 110.937 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 42' ' ' ILE . 7.1 m-85 -71.61 149.75 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.189 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.429 ' O ' ' HB3' ' A' ' 15' ' ' LEU . 0.4 OUTLIER -123.8 127.55 48.25 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.448 0.642 . . . . 0.0 111.044 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 51.33 -170.01 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.189 -179.5 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -100.31 -7.16 24.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.037 179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.503 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.9 p30 -100.42 -21.68 15.3 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.429 ' HB3' ' O ' ' A' ' 11' ' ' THR . 33.4 tp -101.82 74.19 0.14 Allowed Pre-proline 0 CA--C 1.533 0.309 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.503 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 74.2 Cg_endo -82.0 50.46 3.47 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.313 2.009 . . . . 0.0 112.277 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.63 90.36 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.413 -179.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -179.99 -44.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.729 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 20' ' ' ARG . 90.9 t80 -170.43 -75.94 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.965 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -153.13 165.45 17.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.343 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 20' ' ' ARG . 34.6 Cg_endo -65.18 67.97 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.371 2.047 . . . . 0.0 112.335 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' ARG . 82.2 t80 -79.97 -66.31 0.89 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 12.8 p -54.56 -17.73 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.543 179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.3 -29.14 0.95 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.344 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.496 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 6.0 p90 -62.78 -34.26 76.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.771 0.32 . . . . 0.0 110.732 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -67.39 -30.47 70.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.193 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.35 -18.97 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.819 179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.19 29.15 3.09 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.004 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.8 tp -47.13 -28.76 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.72 93.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.73 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.22 44.62 9.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.518 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -100.12 135.08 42.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.623 179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.28 109.41 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.026 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -120.27 97.84 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.793 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.87 -82.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 174.99 84.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -170.22 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.68 154.62 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.8 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -133.01 154.6 50.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.748 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.9 mm -122.73 153.58 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -115.86 113.56 23.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.445 ' CD1' ' CD1' ' A' ' 10' ' ' PHE . 3.3 mp -122.13 113.82 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.1 pt -128.35 135.05 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -106.92 149.67 27.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.77 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.4 pt -146.22 41.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.253 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.61 21.96 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.64 78.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.226 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.9 m 69.54 -66.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.644 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 176.73 59.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.792 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.38 -175.23 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -134.88 -179.18 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -109.3 152.49 25.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -126.38 143.07 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.3 mt -154.99 142.32 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.414 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 2.4 t80 -74.69 118.24 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -61.72 102.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -179.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 m -100.06 30.64 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.736 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 m -57.71 171.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -119.45 -55.33 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -149.5 -74.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.775 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.48 92.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.8 m -149.87 169.16 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.36 -31.38 70.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.6 -29.91 69.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.421 HD13 ' CD2' ' A' ' 59' ' ' TYR . 28.2 mm -72.22 -62.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.226 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.67 -33.34 70.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -60.7 -31.05 70.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.769 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.12 -50.3 35.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -66.08 -55.62 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -34.35 36.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.514 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.426 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 17.1 mt-10 -60.72 -41.21 94.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.45 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.91 -22.14 33.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.227 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.09 -59.1 11.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.581 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.73 39.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.381 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.03 -73.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.29 0.567 . . . . 0.0 111.076 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.6 pt -95.26 39.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.639 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.0 m120 69.41 -63.93 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 38.4 t-80 65.93 77.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -164.04 33.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.581 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -133.37 3.87 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.747 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 54.3 26.19 6.63 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.713 0.292 . . . . 0.0 111.214 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -81.9 -65.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.5 pt -54.7 -29.24 20.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.92 179.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 8.3 tt -76.41 -32.43 58.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.169 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.16 -24.72 51.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.481 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.6 -24.44 25.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.397 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -101.4 -61.86 1.32 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.932 0.396 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 mm? . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.814 179.892 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.448 ' N ' ' CD1' ' A' ' 2' ' ' PHE . 2.0 p90 -155.04 -49.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 10.7 tt -177.79 153.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.05 107.38 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p -141.87 101.08 3.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.4 mp -121.85 157.0 32.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.743 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -141.13 133.39 28.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -119.82 162.21 14.05 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.542 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.7 mm -129.79 137.19 57.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.832 0.348 . . . . 0.0 111.066 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.418 ' CE2' ' HA ' ' A' ' 16' ' ' PRO . 4.2 m-85 -119.04 65.89 0.78 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.534 ' O ' ' O ' ' A' ' 12' ' ' LEU . 22.5 p -70.69 153.84 42.43 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.715 ' O ' ' C ' ' A' ' 13' ' ' LYS . 1.2 mm? 55.21 150.21 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.322 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.715 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -7.55 83.95 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.3 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 12' ' ' LEU . 39.1 p-10 -5.07 71.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.951 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 13' ' ' LYS . 52.0 tp -54.61 112.35 3.9 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.207 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.429 ' HG3' ' N ' ' A' ' 21' ' ' PRO . 91.1 Cg_endo -78.81 78.9 3.53 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.557 2.171 . . . . 0.0 112.173 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -48.5 -27.82 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 4.5 tp10 -58.73 -61.61 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.48 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 23.2 m-85 -167.01 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.5 ' HB2' ' HD2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -113.6 160.26 32.45 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.765 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.5 ' HD2' ' HB2' ' A' ' 20' ' ' ARG . 4.6 Cg_endo -46.65 103.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.876 2.384 . . . . 0.0 112.734 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -95.12 -50.04 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 21.1 t -81.4 -7.24 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.46 -27.17 9.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.904 0.383 . . . . 0.0 110.593 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -61.51 -37.9 85.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.297 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.65 -27.91 66.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.976 179.054 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.26 -20.24 60.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.544 179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.9 33.71 2.16 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.297 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.12 -24.24 9.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.778 0.323 . . . . 0.0 111.501 -179.85 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.64 81.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.11 43.35 20.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.53 -8.45 38.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.814 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tptm 67.06 148.85 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.805 0.336 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.419 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -113.44 97.5 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.25 138.5 37.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.169 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.46 -5.74 48.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.042 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -92.55 14.12 17.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.762 0.315 . . . . 0.0 110.991 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.81 168.11 18.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.908 0.385 . . . . 0.0 111.028 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -159.93 117.31 2.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.7 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.411 HD11 HG23 ' A' ' 40' ' ' ILE . 29.5 mt -125.63 153.82 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.29 151.58 49.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.439 ' CD1' ' N ' ' A' ' 42' ' ' ILE . 0.1 OUTLIER -137.83 127.96 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.416 ' HB ' ' CE1' ' A' ' 52' ' ' HIS . 3.9 mp -105.57 113.66 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.462 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -79.64 132.22 36.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.436 HD11 HG23 ' A' ' 45' ' ' ILE . 13.3 mt -152.51 152.56 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.792 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -50.73 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.64 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.08 20.33 3.19 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.856 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 44.87 30.47 0.56 Allowed 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.754 0.312 . . . . 0.0 111.109 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.94 -63.34 0.47 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.579 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.45 -69.37 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.161 0.505 . . . . 0.0 110.645 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.462 ' CB ' ' HA ' ' A' ' 44' ' ' SER . 4.7 p-10 -179.3 -169.88 0.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.192 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.416 ' CE1' ' HB ' ' A' ' 43' ' ' ILE . 48.3 p-80 -141.0 149.07 41.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.751 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.25 158.24 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.395 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.7 mt -154.89 127.88 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.739 179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 51.2 t80 -70.18 144.95 51.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.0 mp -122.31 131.61 53.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.905 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -59.33 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -156.39 22.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.281 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' SER . 3.6 t80 54.15 -82.52 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' SER . 0.1 OUTLIER 60.77 -79.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.802 0.334 . . . . 0.0 111.334 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -55.25 168.17 0.38 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.263 -179.701 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.0 m -146.44 169.51 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 66.74 -70.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.59 -45.43 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.82 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.478 HG22 HD12 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -70.65 -37.92 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.02 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -38.45 83.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -77.7 -30.78 51.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.6 -50.51 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.06 -61.68 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -49.77 -28.71 6.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -69.63 -44.06 71.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.601 179.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.89 -0.91 32.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.541 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.1 -74.61 1.28 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.658 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.1 -3.11 23.48 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.98 -154.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.695 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.2 mt -41.54 139.45 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.929 0.395 . . . . 0.0 111.469 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -54.34 -178.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -82.7 -14.46 54.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.17 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 75.92 -174.75 0.11 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 120.731 0.301 . . . . 0.0 110.932 -179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -51.12 171.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.076 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.71 -17.83 59.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.606 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.36 -30.36 51.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.78 0.324 . . . . 0.0 111.015 -179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.7 tt -59.79 -44.93 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.98 -41.0 86.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.18 179.461 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.92 -26.8 68.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.111 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -78.61 -49.65 6.5 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.389 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 p80 179.58 77.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 1.8 tm? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.738 179.763 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.753 0.311 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -77.17 136.3 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.2 tt -102.8 100.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.39 135.44 51.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.8 p -101.67 166.16 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 mp -94.86 118.17 31.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -113.49 115.55 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.75 101.17 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.216 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.05 76.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 111.446 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.467 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 8.9 m-85 -72.61 127.38 32.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.116 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 12' ' ' LEU . 23.1 p -147.51 162.86 38.2 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.34 0.591 . . . . 0.0 111.685 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 11' ' ' THR . 8.1 mp 53.83 159.27 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.602 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.479 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -56.26 -19.26 13.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 179.081 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.482 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 2.6 p30 -89.3 11.1 19.94 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.907 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -44.85 -33.67 1.49 Allowed Pre-proline 0 CA--C 1.537 0.454 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 20.4 Cg_exo -68.87 53.58 0.8 Allowed 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.037 1.824 . . . . 0.0 112.627 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.4 75.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.153 0.501 . . . . 0.0 111.179 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER 165.36 -55.59 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.547 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -170.94 -69.47 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.38 102.68 0.28 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.821 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.457 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 57.2 Cg_endo -71.38 -166.5 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.48 2.12 . . . . 0.0 112.534 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -81.35 -43.85 18.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.004 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 10.4 p -56.13 -18.28 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.823 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.2 -53.59 10.27 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 4.5 p90 -54.78 -29.06 53.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.411 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 4.4 ttpm? -72.0 -22.55 61.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.499 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.12 -27.23 59.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.96 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.84 32.82 1.99 Allowed Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.972 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.427 ' CD2' ' C ' ' A' ' 29' ' ' LEU . 0.0 OUTLIER -55.63 -22.97 25.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.689 0.28 . . . . 0.0 111.354 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' HB2' ' O ' ' A' ' 29' ' ' LEU . 0.7 OUTLIER 177.98 42.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.597 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.78 42.54 26.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.596 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -76.18 -65.5 0.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.917 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.66 141.74 26.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.402 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 3.0 mm? -101.3 162.78 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.286 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -87.08 -94.49 0.09 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.711 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.3 -71.35 0.05 OUTLIER 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.037 0.446 . . . . 0.0 110.128 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' SER . 30.2 t70 -114.68 3.01 14.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.466 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.473 ' CB ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t70 -81.72 -173.17 4.28 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.2 mt-10 -159.96 153.0 21.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.423 HD13 HG23 ' A' ' 40' ' ' ILE . 26.2 mm -136.14 132.06 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -118.19 115.66 25.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.452 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.0 mt -132.48 137.31 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.545 179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.5 mp -139.7 139.75 37.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.834 0.349 . . . . 0.0 111.601 -179.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.57 131.1 39.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.691 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 2.7 mm -86.99 -66.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.186 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.9 -24.21 15.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.212 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.82 -62.0 3.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 t -74.99 -27.96 60.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.804 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -88.96 -61.58 1.67 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.7 p -177.07 173.77 1.78 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.921 0.391 . . . . 0.0 111.29 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -136.89 -172.82 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.682 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.5 p80 -133.27 143.84 49.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 40.4 t -108.02 133.78 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 179.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.53 132.59 46.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.089 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -93.98 132.98 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.597 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 68.5 mt -111.54 79.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -27.32 67.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.641 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -152.32 -63.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.467 ' CZ ' ' HB ' ' A' ' 65' ' ' ILE . 29.5 t80 51.72 86.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.224 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -100.28 124.48 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m -48.49 121.62 4.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 14.4 p -166.5 29.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.281 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 70.62 -57.61 0.58 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.3 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.76 -37.26 68.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.795 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.467 ' HB ' ' CZ ' ' A' ' 59' ' ' TYR . 1.8 pp -64.68 -36.32 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -69.83 -52.24 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.596 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -55.88 -29.19 59.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.09 -46.57 77.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.5 -64.79 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -47.71 -33.22 6.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.949 0.404 . . . . 0.0 110.77 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 -63.74 -42.24 97.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.254 179.274 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.04 6.74 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.297 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -89.69 -48.75 3.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.496 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.16 33.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 111.665 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -100.04 158.4 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.4 pt -68.26 70.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.054 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -179.23 -170.08 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 61.09 91.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 110.64 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 10.0 t -177.57 -171.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.0 t 45.67 27.72 0.46 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.654 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 48.47 26.3 1.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.588 179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -80.34 -58.82 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.822 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 pp -54.48 -25.06 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.808 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.415 ' HA ' ' HB2' ' A' ' 88' ' ' LEU . 4.6 mp -73.01 -45.18 59.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.254 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -72.83 -13.18 61.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.41 179.166 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.89 -26.58 14.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.669 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -165.35 60.68 0.12 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.836 0.35 . . . . 0.0 111.383 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.415 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.0 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.926 0.393 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -118.44 -178.25 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.787 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 2.8 tp -59.35 108.46 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.95 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.74 118.65 5.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -129.67 78.46 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.28 123.15 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.11 76.56 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -82.05 164.56 44.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.374 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 26.3 mm -139.68 102.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 111.325 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.447 ' CZ ' ' HA ' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -69.98 120.4 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.568 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.473 ' O ' ' O ' ' A' ' 12' ' ' LEU . 9.5 t -131.2 113.88 14.4 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.195 0.521 . . . . 0.0 111.53 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER 56.46 142.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.27 179.641 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -26.45 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.474 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.448 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 36.2 t70 -53.97 -42.57 69.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.225 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.11 103.08 20.44 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.464 ' O ' ' N ' ' A' ' 18' ' ' GLU . 82.5 Cg_endo -91.6 39.29 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.822 2.348 . . . . 0.0 112.674 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 1.0 OUTLIER 29.42 36.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.634 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.516 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 6.6 tp10 167.48 -70.39 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.256 0.55 . . . . 0.0 110.638 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -169.4 -53.07 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.956 -179.667 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpt85 -106.07 134.59 19.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -61.07 105.04 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.557 2.172 . . . . 0.0 112.413 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -93.16 -21.92 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.415 HG11 ' HG2' ' A' ' 26' ' ' LYS . 29.8 t -100.28 10.35 7.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.423 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -84.1 -22.15 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.519 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.426 ' CD2' HD23 ' A' ' 29' ' ' LEU . 2.0 p90 -70.21 -36.95 74.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG2' HG11 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -72.06 -27.32 62.61 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.359 179.522 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.08 -26.78 59.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.04 24.26 6.01 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.517 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.426 HD23 ' CD2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -65.08 -15.27 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 111.545 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 1.2 mt-10 -137.38 50.71 1.96 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 10.4 ptmm? 48.18 41.01 15.05 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.287 0.565 . . . . 0.0 110.652 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -92.92 17.0 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.279 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.59 -168.43 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.852 0.358 . . . . 0.0 111.42 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.2 OUTLIER -126.28 130.41 50.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -174.29 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -102.98 -20.88 14.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -97.23 23.28 7.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.058 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.49 98.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.802 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -113.57 135.15 54.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.1 mp -141.09 137.19 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.42 118.6 37.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.8 mt -101.92 113.69 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 11.1 mm -118.8 110.04 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.057 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.3 p -119.23 145.03 46.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.5 mt -132.35 33.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.79 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.9 27.88 15.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.608 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 t -164.91 -44.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.82 -37.37 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.788 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.0 81.9 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -125.7 119.94 29.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -135.46 148.95 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -147.87 122.32 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 5.3 mt -103.51 172.92 6.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.989 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -124.95 118.24 25.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.98 122.39 45.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.723 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -98.62 -56.33 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.2 t -103.96 -77.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.423 ' CZ ' HD11 ' A' ' 65' ' ' ILE . 3.1 t80 60.88 69.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -107.97 -21.63 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -54.9 -174.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 12.5 m -113.81 -148.04 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.427 ' HA ' ' HB2' ' A' ' 66' ' ' ARG . 4.2 m-20 -46.73 -27.35 1.16 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.748 0.309 . . . . 0.0 111.537 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -52.31 -27.5 15.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.61 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.423 HD11 ' CZ ' ' A' ' 59' ' ' TYR . 43.5 pt -109.48 -7.1 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.427 ' HB2' ' HA ' ' A' ' 63' ' ' ASP . 11.8 mtp85 -78.93 -57.97 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.909 0.385 . . . . 0.0 111.172 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -58.77 -39.71 81.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.389 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 20.8 pt-20 -62.85 -43.93 97.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.014 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.8 tp -73.35 -49.61 26.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.79 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.83 -49.48 65.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.8 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.99 -33.73 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.613 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -53.3 -26.38 18.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.036 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -93.98 -30.83 8.54 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.514 179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.36 34.97 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 111.451 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.04 -178.76 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.401 . . . . 0.0 111.031 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.3 pt -97.19 150.73 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 77.28 -55.17 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.97 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 69.08 11.28 8.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 43.84 -163.23 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.328 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.402 ' O ' ' CB ' ' A' ' 81' ' ' LEU . 9.8 t -170.85 97.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 80' ' ' THR . 0.7 OUTLIER 81.79 -44.01 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.617 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.433 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -52.95 -60.24 3.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.677 0.275 . . . . 0.0 111.29 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.8 pp -52.81 -29.82 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.086 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -45.2 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.274 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.433 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 19.9 pt-20 -72.81 -19.95 61.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.424 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.22 -28.74 10.33 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.319 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -179.09 74.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.74 0.305 . . . . 0.0 111.251 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.782 179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.411 ' O ' ' CG ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.778 0.323 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 1' ' ' LEU . 38.6 p90 43.51 57.44 3.92 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.474 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.486 HG22 HD11 ' A' ' 3' ' ' ILE . 0.5 OUTLIER 70.75 138.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -97.89 119.62 36.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 26.9 p -131.36 94.01 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.7 mt -116.44 152.84 33.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.071 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.26 160.39 40.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.742 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.35 110.74 0.88 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.64 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.404 ' O ' ' CG2' ' A' ' 9' ' ' ILE . 18.4 tt -81.97 79.73 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.078 0.466 . . . . 0.0 110.934 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.465 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 21.7 m-85 -76.57 143.65 40.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.741 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 12' ' ' LEU . 9.3 t -159.9 155.91 26.4 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.298 0.57 . . . . 0.0 111.512 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.419 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.3 OUTLIER 57.2 158.0 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.287 -179.46 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.451 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -54.43 -22.26 12.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.659 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.607 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 14.2 t70 -84.92 3.96 35.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.634 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 2.4 pt? -41.56 -40.21 2.95 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 12.4 Cg_endo -54.73 71.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.07 1.847 . . . . 0.0 112.914 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.86 67.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.784 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -46.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -170.74 -86.84 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.758 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.28 150.4 43.0 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.839 0.352 . . . . 0.0 111.219 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.468 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 63.5 Cg_endo -73.34 123.65 8.87 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.863 2.375 . . . . 0.0 112.918 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -79.55 -39.05 32.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.296 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.9 m -74.3 -8.58 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.026 179.417 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.401 ' HB2' ' HG2' ' A' ' 21' ' ' PRO . 1.0 OUTLIER -48.35 -31.03 5.53 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.652 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -58.83 -35.68 73.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.13 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -65.64 -28.73 69.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.883 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.47 -27.4 66.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.818 179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.67 24.57 5.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 14.2 tp -79.83 -7.41 58.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -162.32 43.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.949 0.404 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 57.7 43.73 21.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.845 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -95.71 -12.86 24.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.224 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.1 mtmm 65.31 -175.65 0.18 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.904 0.383 . . . . 0.0 111.066 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.4 ' HB2' ' HD2' ' A' ' 13' ' ' LYS . 0.1 OUTLIER -103.15 116.84 33.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.935 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.06 124.53 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.43 -16.79 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.17 24.31 8.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.07 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.3 160.6 26.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -160.99 119.73 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.4 mt -150.48 160.32 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.75 144.25 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.152 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.424 HD12 ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -123.54 131.54 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.009 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 13.7 mm -117.04 116.17 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.274 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.486 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 54.5 p -93.99 140.97 29.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 22.3 pt -150.84 33.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.112 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 42.05 37.26 0.81 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.658 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.24 51.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.005 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.2 p 40.77 32.16 0.15 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.83 0.348 . . . . 0.0 111.242 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 50' ' ' SER . 17.7 mm100 -147.8 -76.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.316 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 4.8 t 149.63 75.3 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.962 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.486 ' CB ' ' HA ' ' A' ' 44' ' ' SER . 3.1 p-10 47.01 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.501 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -151.22 136.7 17.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.654 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.2 t -69.92 136.67 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.21 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.18 106.96 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 17.1 t80 -74.48 130.63 39.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.942 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.6 mt -109.01 113.12 25.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 t -74.19 -67.89 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -124.5 166.82 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.423 ' CE2' HG12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -167.97 88.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.01 27.53 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 m 57.08 43.26 24.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.405 ' CG2' HG22 ' A' ' 65' ' ' ILE . 28.0 m -88.34 21.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 68.31 -61.87 0.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.796 0.331 . . . . 0.0 111.351 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -47.27 -34.6 6.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.423 HG12 ' CE2' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -70.66 -23.99 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.63 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -77.95 -70.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.374 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -31.01 30.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.347 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 30.0 tp10 -65.34 -51.72 58.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.017 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 8.8 tp -69.84 -45.56 67.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.091 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.94 -47.09 74.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -78.1 -34.85 49.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -57.05 -24.43 53.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.2 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.39 -43.44 4.92 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.663 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.82 32.67 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.279 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.16 157.97 36.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -100.18 119.98 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m120 62.8 118.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -89.17 172.38 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 t -108.52 -161.27 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.714 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 t -91.54 45.08 1.21 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.1 tt 55.74 23.06 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.228 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -80.07 -49.76 11.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.6 pp -56.97 -31.29 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.4 mp -70.74 -43.07 69.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.183 179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.1 -24.72 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.606 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.39 -21.88 20.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.625 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -116.47 20.49 14.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.627 0.251 . . . . 0.0 111.248 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.3 tp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.924 179.81 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 66.6 tp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.51 ' O ' HG23 ' A' ' 3' ' ' ILE . 50.7 t80 -65.05 125.52 25.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.728 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.51 HG23 ' O ' ' A' ' 2' ' ' PHE . 1.4 tp 50.4 121.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.986 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.64 103.76 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 40.0 p -121.14 119.21 31.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.61 137.12 20.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -108.54 120.27 41.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.26 157.96 16.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.591 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.8 mm -132.59 142.94 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.536 ' CZ ' ' HB3' ' A' ' 17' ' ' GLU . 1.8 m-85 -115.0 111.78 21.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.445 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.458 ' O ' ' O ' ' A' ' 12' ' ' LEU . 12.4 p -98.8 105.34 17.48 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.105 0.479 . . . . 0.0 111.289 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 11' ' ' THR . 65.0 mt 57.71 137.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.843 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.403 ' CB ' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -45.16 -28.1 0.71 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.659 179.571 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.453 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.3 t70 -52.5 -51.59 58.71 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.858 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -83.87 109.41 18.45 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.382 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.453 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 94.2 Cg_endo -93.96 32.26 0.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.757 2.305 . . . . 0.0 113.126 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.536 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER 65.33 -45.29 0.36 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.596 179.466 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.8 tt0 179.18 -28.89 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -149.64 79.76 1.38 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.059 0.457 . . . . 0.0 111.741 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 61.49 147.16 0.08 OUTLIER Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.377 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -90.36 117.09 0.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.993 2.462 . . . . 0.0 112.607 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.31 -31.98 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.039 0.447 . . . . 0.0 110.339 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 23' ' ' VAL . 9.4 p -61.34 -18.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.325 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -47.25 -39.3 14.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.561 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.469 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -62.79 -48.64 78.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.524 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.469 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -69.43 -19.0 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.407 179.36 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.17 -25.2 34.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.43 24.71 4.37 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.713 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -21.28 49.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.857 0.36 . . . . 0.0 111.309 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -149.88 44.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 14.9 pttp 48.42 39.89 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.36 0.6 . . . . 0.0 110.77 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -61.76 -69.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.0 tttp -164.91 -171.9 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.96 0.41 . . . . 0.0 111.235 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 1.7 mm? -125.53 -165.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.842 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 37' ' ' ASP . 47.6 t -56.02 -115.3 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.123 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 65.2 -67.84 0.12 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.994 0.426 . . . . 0.0 109.955 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 35' ' ' SER . 2.6 p30 -135.66 14.09 3.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.623 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.51 147.08 54.01 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.847 0.356 . . . . 0.0 111.021 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -164.6 145.61 7.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.417 ' CG2' ' HB2' ' A' ' 10' ' ' PHE . 1.2 tp -146.17 142.33 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.405 ' N ' HG13 ' A' ' 40' ' ' ILE . . . -114.84 117.65 31.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 0.0 111.313 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 1.5 pt -116.3 134.99 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.754 179.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -134.74 132.27 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 0.0 111.663 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 76.5 p -108.6 156.4 19.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.369 179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 1.5 pp -168.22 65.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.897 0.379 . . . . 0.0 111.558 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.437 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 45.54 30.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.27 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.33 65.79 0.75 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.895 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.18 -63.45 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.743 0.306 . . . . 0.0 110.548 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -179.56 53.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.7 -165.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 13.1 p30 -149.4 165.37 32.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.781 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -99.69 142.61 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 13.0 p -104.38 120.17 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -107.86 132.59 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.801 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 44.0 t80 -83.48 148.07 27.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.99 92.96 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.754 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -69.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 p -177.53 61.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -121.28 132.34 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -138.42 27.36 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.512 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 3.3 m -164.69 -160.24 0.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.512 ' CG1' ' O ' ' A' ' 61' ' ' SER . 10.0 p 54.53 141.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.157 0.503 . . . . 0.0 111.95 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.22 -27.37 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -26.87 10.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -42.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -70.62 -48.97 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -56.51 -30.74 63.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -75.83 -30.03 58.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -77.33 -50.25 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -31.24 68.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.12 -28.44 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.72 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.14 -36.91 10.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.02 -64.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.179 0.514 . . . . 0.0 111.183 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -57.84 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 31.1 mm -50.19 155.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.266 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 55.7 p30 -85.96 -170.22 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 72.5 m80 -52.42 -25.48 10.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.323 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.72 89.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 7.0 t 43.91 55.52 5.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.472 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 44.04 37.04 1.62 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.333 179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -78.5 -51.68 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.065 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 31.6 mt -54.32 -38.56 40.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.408 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 5.8 mt -65.58 -41.15 93.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.211 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -72.54 -13.48 61.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -92.19 -31.08 9.35 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.9 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -175.25 66.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.887 0.375 . . . . 0.0 111.579 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.408 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.972 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.796 0.331 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 t80 59.89 71.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.9 mm -68.13 124.99 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.8 94.89 9.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 p -100.45 95.68 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -110.51 99.65 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 110.65 21.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.794 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.46 132.43 10.98 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.616 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -92.1 116.24 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.755 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.449 ' CZ ' ' HB2' ' A' ' 17' ' ' GLU . 4.2 m-30 -78.63 104.4 9.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.468 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.519 ' O ' ' O ' ' A' ' 12' ' ' LEU . 1.2 p -88.13 105.97 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.076 0.465 . . . . 0.0 111.205 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.519 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER 55.78 138.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.654 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 1.9 ptpp? -47.09 -24.87 0.73 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.484 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 5.9 t70 -53.97 -42.11 68.6 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mp -100.86 79.7 0.23 Allowed Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.011 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.484 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 59.9 Cg_endo -71.38 54.88 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.785 2.323 . . . . 0.0 113.246 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 5.3 tm-20 61.9 -72.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.402 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.8 tm-20 -128.99 -36.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 111.621 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -169.81 -70.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.259 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -124.05 112.27 28.55 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HD3' ' HB2' ' A' ' 16' ' ' PRO . 86.0 Cg_endo -92.94 178.52 1.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.974 2.449 . . . . 0.0 112.523 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 90.1 m-85 -92.01 -28.78 16.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.615 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 7.8 m -73.2 -13.81 16.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.567 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -48.98 -37.71 21.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.758 0.314 . . . . 0.0 111.015 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' CD1' ' O ' ' A' ' 22' ' ' PHE . 0.2 OUTLIER -59.88 -26.14 65.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -66.56 -37.21 84.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.95 68.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.9 28.37 4.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.437 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.48 -12.55 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 111.569 -179.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -177.99 46.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.411 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt 61.53 45.98 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -66.62 -13.39 61.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.198 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.18 160.42 0.23 Allowed 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 2.4 mm? -78.47 93.32 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.8 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 p -87.49 86.19 7.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.763 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -59.4 -20.26 53.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.49 5.54 47.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.627 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.56 157.17 19.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.92 0.391 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -146.21 159.05 43.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.9 mt -147.07 117.47 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.236 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -84.94 127.04 34.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.437 HG13 ' CZ ' ' A' ' 10' ' ' PHE . 28.6 mm -113.68 115.21 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.9 mm -100.1 107.43 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 6.5 t -95.45 109.65 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 41.1 pt -151.18 -168.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.46 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.45 38.79 4.1 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.921 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 51.19 52.88 13.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 65.08 66.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -177.39 167.81 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -119.58 137.33 53.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -89.47 126.57 35.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 14.1 p -109.19 143.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.061 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 mt -141.52 120.58 12.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -76.04 134.74 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 mp -98.67 109.59 22.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 t -96.19 -39.5 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -140.0 34.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.467 ' CZ ' HG12 ' A' ' 65' ' ' ILE . 1.6 t80 -67.19 -172.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.771 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 59' ' ' TYR . 3.1 p-10 49.2 109.24 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.854 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.93 -52.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.495 ' O ' HD11 ' A' ' 65' ' ' ILE . 4.1 m -146.42 -174.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.72 1.45 38.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -84.8 -31.1 24.06 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.072 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.495 HD11 ' O ' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -81.25 -25.51 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.736 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.429 ' N ' ' CD1' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -77.9 -35.93 50.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.222 179.224 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -32.87 74.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.039 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -54.01 42.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.468 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.11 -48.11 83.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.64 -33.07 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.343 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.55 -39.4 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.517 179.642 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.39 -5.11 53.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.433 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -84.2 -65.03 1.55 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.847 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.46 -15.9 12.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.754 0.311 . . . . 0.0 111.804 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 9.4 mttp -100.12 -157.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.786 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 mt -44.04 125.97 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 120.803 0.335 . . . . 0.0 111.481 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -99.59 -175.8 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.422 ' O ' ' CG2' ' A' ' 79' ' ' THR . 26.5 m-70 -62.29 -59.17 5.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.422 ' CG2' ' O ' ' A' ' 78' ' ' HIS . 14.6 t 46.79 31.06 1.32 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.363 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.8 t 174.94 -28.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mt 74.36 23.3 2.03 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -75.3 -29.37 60.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.75 179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.4 -59.66 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.458 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.404 ' HA ' ' HB2' ' A' ' 88' ' ' LEU . 0.5 OUTLIER -56.03 -35.63 67.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.166 179.254 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -66.81 -26.57 67.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.146 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.0 -32.94 62.89 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.278 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.57 71.67 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.91 0.386 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.404 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.692 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.9 mm? . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.73 0.3 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 67.91 -69.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.8 mp -73.15 112.69 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.886 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.7 94.67 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.07 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -121.07 157.84 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tp -150.15 143.4 25.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.714 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -112.24 74.08 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.044 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.41 151.32 51.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.241 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.0 mt -133.0 100.48 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.325 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.581 ' CB ' ' HB2' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -98.51 102.55 14.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.894 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.583 ' O ' ' O ' ' A' ' 12' ' ' LEU . 1.1 t -100.3 -177.75 3.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.972 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.583 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 46.17 152.48 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.914 0.886 . . . . 0.0 111.945 -177.852 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.432 ' O ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.76 -26.45 0.39 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.436 -178.538 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.515 ' O ' ' N ' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -81.59 -17.0 49.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.581 ' HB2' ' CB ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -9.47 73.79 0.02 OUTLIER Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 123.927 0.891 . . . . 0.0 113.299 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 14' ' ' ASP . 84.3 Cg_endo -102.76 48.89 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.378 2.719 . . . . 0.0 114.189 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER 25.26 -93.45 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.815 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -157.06 17.94 0.3 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.731 0.301 . . . . 0.0 110.938 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -170.58 79.78 0.09 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 121.023 0.439 . . . . 0.0 110.805 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 62.62 137.73 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 30.9 Cg_exo -60.79 120.65 8.48 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.496 2.131 . . . . 0.0 112.502 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.15 -29.14 12.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.647 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 4.7 t -92.65 -13.28 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.35 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -47.72 -32.3 5.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -60.19 -36.27 77.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.632 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -34.58 76.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.262 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.24 -29.53 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.579 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.63 17.65 23.06 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.615 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.76 -24.2 21.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.95 0.405 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -178.11 40.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.884 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm 55.9 42.66 28.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.759 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -43.99 84.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -178.12 104.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.43 52.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.08 168.2 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -81.8 0.7 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.464 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.86 25.03 7.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.68 0.276 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -83.43 134.17 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -139.46 141.44 37.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.1 mt -150.02 127.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.239 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -103.21 112.21 24.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.476 ' CD1' ' CD2' ' A' ' 10' ' ' PHE . 2.9 mp -107.17 125.81 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.49 103.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -73.09 144.05 47.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.001 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.443 HD12 ' CG ' ' A' ' 52' ' ' HIS . 0.2 OUTLIER -135.51 -38.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.314 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -139.8 98.59 3.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.234 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.24 -37.43 54.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.874 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -67.2 -31.79 72.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.997 0.427 . . . . 0.0 110.155 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 46' ' ' LYS . 1.3 mm100 -77.96 -78.77 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.536 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER 163.96 37.89 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.544 179.739 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 10.9 m-80 48.78 -167.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.311 . . . . 0.0 111.017 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.443 ' CG ' HD12 ' A' ' 45' ' ' ILE . 0.2 OUTLIER -142.73 92.59 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 110.636 179.613 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.5 p -82.72 142.8 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.367 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -143.22 130.18 20.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.778 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -69.89 146.36 51.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.095 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.7 tp -137.15 143.66 42.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.6 m -100.01 -77.04 0.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.4 p -177.97 138.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.42 -47.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.7 t30 60.67 30.83 19.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.62 149.52 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -117.57 116.85 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -78.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -85.62 -42.5 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 tt -62.83 -30.9 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -75.61 -49.37 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -31.47 69.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.38 -55.23 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -50.42 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.266 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.94 -36.81 50.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.846 0.355 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -42.91 96.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.716 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.44 -24.64 42.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.66 -59.51 10.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.59 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.52 40.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.293 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -81.29 -85.06 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.968 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.22 -82.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.222 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -166.6 160.9 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -91.32 174.34 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.1 t -123.68 52.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.9 m 62.39 -85.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.241 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.5 mt -148.72 29.0 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.746 0.308 . . . . 0.0 111.055 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.27 -55.71 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.092 -179.859 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 37.1 pt -56.74 -31.5 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.046 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.7 mp -73.96 -31.83 63.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.28 -24.58 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.66 -21.26 10.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.729 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -105.99 -54.4 2.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.788 0.327 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.948 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.892 0.377 . . . . 0.0 111.208 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 63.62 125.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tp -75.74 148.34 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -104.16 146.31 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.979 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.2 p -164.76 136.55 4.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tp -118.98 120.38 37.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 114.62 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.22 162.18 27.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 11.6 tt -117.14 123.6 72.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.222 0.534 . . . . 0.0 111.559 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.462 ' CD2' ' HB2' ' A' ' 15' ' ' LEU . 2.2 m-85 -114.47 111.82 22.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.231 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.84 118.93 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.727 ' N ' ' HB2' ' A' ' 38' ' ' ASP . 4.6 tp -26.2 -48.15 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.612 ' HG2' ' HB3' ' A' ' 38' ' ' ASP . 14.2 mmtm -100.51 -46.91 5.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.741 0.305 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.445 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 67.3 m-20 -94.59 38.55 1.1 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.915 0.388 . . . . 0.0 111.243 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.707 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 3.5 pp -85.33 -20.08 0.26 Allowed Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 81.0 Cg_endo -82.12 54.0 4.8 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 121.434 1.422 . . . . 0.0 112.999 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -31.67 -36.46 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.175 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.1 tm-20 -88.8 -58.71 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.197 0.522 . . . . 0.0 111.223 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -171.26 -60.35 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.29 -179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.95 95.9 1.96 Allowed Pre-proline 0 C--N 1.332 -0.163 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.09 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.514 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 87.0 Cg_endo -77.04 -158.49 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.866 2.377 . . . . 0.0 112.394 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -88.68 -7.37 56.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.664 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.46 ' CG2' ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -100.67 -7.68 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -53.88 -23.4 12.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.686 0.279 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.4 p90 -68.85 -31.72 70.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.7 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -32.78 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.639 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.37 -18.0 61.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.957 179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.74 28.63 2.73 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.826 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.5 OUTLIER -69.11 -11.83 61.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.702 0.251 . . . . 0.0 111.438 -179.791 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -169.65 47.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.376 . . . . 0.0 111.042 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.31 46.24 7.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -68.46 -14.04 62.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.35 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.423 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 4.8 ptpt 48.04 -176.05 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 111.449 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.466 ' CD2' ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -117.49 119.08 33.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -100.21 -90.28 0.32 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.771 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -179.8 -27.76 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.04 22.02 2.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.057 0.455 . . . . 0.0 110.727 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.727 ' HB2' ' N ' ' A' ' 12' ' ' LEU . 4.6 p30 -53.31 93.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.318 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' CB ' ' HB2' ' A' ' 56' ' ' LEU . 33.6 mm-40 -125.85 100.62 6.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.369 . . . . 0.0 111.28 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.408 ' CG2' ' O ' ' A' ' 10' ' ' PHE . 5.8 tt -143.53 103.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.57 160.24 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.813 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 21.1 mt -138.67 141.37 37.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.562 179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.469 ' O ' ' HB3' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -142.83 156.53 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 111.495 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.496 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 18.9 p -134.37 144.43 48.22 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.65 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.414 ' CD1' ' OD1' ' A' ' 51' ' ' ASN . 3.9 mt -119.26 16.03 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.523 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? 55.9 30.36 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.57 39.65 2.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 p 57.32 20.35 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.652 0.263 . . . . 0.0 111.239 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -156.05 19.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.344 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.0 t 42.74 32.95 0.42 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.851 0.357 . . . . 0.0 111.551 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.496 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 46.6 t30 59.39 -110.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.571 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.446 ' CE1' ' OD1' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -170.54 175.94 4.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.97 0.414 . . . . 0.0 111.042 179.602 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 8.7 p -101.06 151.06 5.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.765 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -121.37 126.87 50.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.925 0.393 . . . . 0.0 111.188 -179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.416 ' CE1' HD12 ' A' ' 12' ' ' LEU . 15.5 t80 -93.54 110.3 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.427 ' HB2' ' CB ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -94.8 148.53 22.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.754 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.0 t -99.99 -32.98 10.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.39 164.3 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -124.95 136.96 54.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.927 0.394 . . . . 0.0 111.039 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -168.63 139.45 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.663 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m 65.81 -169.58 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.806 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 m -152.42 82.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 179.11 -52.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.02 7.03 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.468 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.441 HG22 HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -118.04 -39.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.82 0.343 . . . . 0.0 110.903 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -76.25 -37.89 57.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -58.25 -46.74 85.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -43.75 69.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.29 -52.07 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -51.3 -32.82 26.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.006 0.432 . . . . 0.0 110.539 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.411 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 1.6 mt-10 -63.23 -47.31 83.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.509 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' CB ' ' CE1' ' A' ' 78' ' ' HIS . . . -64.3 -29.7 70.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.83 -65.08 3.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . 176.05 53.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.002 0.43 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.411 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 1.3 tttm -99.85 -76.35 0.55 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 64.1 mt -82.72 -80.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.896 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -177.94 25.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.605 179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.442 ' CE1' ' CB ' ' A' ' 72' ' ' ALA . 0.1 OUTLIER 53.17 174.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 0.0 111.3 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.417 ' HB ' ' HB2' ' A' ' 82' ' ' LYS . 65.6 p -124.5 2.46 8.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.016 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.462 ' OG1' ' N ' ' A' ' 81' ' ' LEU . 1.4 p 75.5 -68.03 0.22 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.718 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.462 ' N ' ' OG1' ' A' ' 80' ' ' THR . 19.2 mt -147.76 12.17 0.99 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' HB2' ' HB ' ' A' ' 79' ' ' THR . 35.2 mttt -73.24 -50.79 20.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.676 179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -52.44 -28.12 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.871 179.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.437 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -69.37 -51.2 39.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.236 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.74 -17.22 64.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.193 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.76 -35.6 13.04 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.411 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 7.2 p80 174.61 75.61 0.0 OUTLIER 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.747 0.308 . . . . 0.0 111.208 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.437 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.917 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.425 ' CD1' ' N ' ' A' ' 1' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.672 0.273 . . . . 0.0 111.356 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -130.96 162.92 28.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.1 tp -165.09 119.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.36 92.17 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.9 p -141.81 109.89 5.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -142.4 145.99 34.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.9 ptpt -119.96 93.18 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.767 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.92 151.44 25.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.688 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.0 113.35 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.512 ' CE2' ' HB2' ' A' ' 17' ' ' GLU . 1.0 OUTLIER -108.11 112.3 24.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.375 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.441 ' O ' ' O ' ' A' ' 12' ' ' LEU . 71.5 p -102.69 120.56 40.79 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 111.81 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.1 OUTLIER 58.51 139.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.08 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.01 -25.37 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 179.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.4 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 0.5 OUTLIER -62.57 -46.39 88.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.176 179.891 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -80.32 111.36 21.82 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.58 0.229 . . . . 0.0 111.032 -179.801 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 18' ' ' GLU . 92.1 Cg_endo -92.98 46.94 0.36 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.927 2.418 . . . . 0.0 112.379 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.512 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 7.6 tp10 63.9 -65.06 0.13 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.073 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 16' ' ' PRO . 5.8 tp10 -164.79 -29.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -170.84 91.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.897 0.38 . . . . 0.0 111.417 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.08 106.2 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.964 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HD3' ' HB2' ' A' ' 16' ' ' PRO . 43.1 Cg_endo -95.34 159.01 1.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.022 2.481 . . . . 0.0 112.782 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -89.39 8.31 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.406 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 46.8 t -100.21 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.299 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -44.63 -36.7 3.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.991 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.449 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 5.6 p90 -61.77 -46.5 89.3 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.647 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -63.49 -24.43 67.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 0.0 110.301 179.373 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -72.34 -26.88 62.09 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.35 37.52 1.74 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.519 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -77.06 -5.28 48.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.585 0.231 . . . . 0.0 111.481 -179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -161.7 45.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.005 0.431 . . . . 0.0 111.023 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 59.58 45.0 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.745 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -78.15 -19.56 53.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp 64.67 -176.63 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -113.24 98.93 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.98 -174.52 4.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.7 p30 -120.54 28.2 8.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -139.31 13.05 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.336 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.2 138.86 36.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -139.15 135.18 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.407 HD11 HG23 ' A' ' 40' ' ' ILE . 18.9 mm -125.11 142.23 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.84 115.03 14.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.46 ' CD1' ' CZ ' ' A' ' 10' ' ' PHE . 22.1 mt -98.11 118.06 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.423 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.6 mt -113.06 97.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.795 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -105.87 152.1 23.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -179.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . 0.427 ' CG1' ' HB2' ' A' ' 51' ' ' ASN . 0.7 OUTLIER -140.13 -176.96 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.447 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -80.01 54.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 111.5 -179.646 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.68 14.51 55.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.467 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 p 58.19 21.08 7.69 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.745 0.307 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 175.17 39.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.25 -162.73 0.08 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.495 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.427 ' HB2' ' CG1' ' A' ' 45' ' ' ILE . 11.3 t-20 -146.58 -115.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.265 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -121.83 153.65 38.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 111.109 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.7 p -121.91 106.4 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -100.07 -171.38 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -166.87 151.92 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.885 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.404 ' CD2' ' N ' ' A' ' 56' ' ' LEU . 1.9 mm? -108.3 113.72 27.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 p -89.56 -47.58 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 p -137.66 76.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.418 ' CE2' HG21 ' A' ' 65' ' ' ILE . 24.9 t80 -87.55 136.43 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -104.4 -89.85 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 p 168.58 45.15 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 m -124.94 154.82 33.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.309 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.63 -28.4 67.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -44.73 83.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.418 HG21 ' CE2' ' A' ' 59' ' ' TYR . 32.9 mm -80.84 -32.89 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -63.41 -42.28 98.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -70.88 -32.89 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.39 -45.2 88.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.1 tp -75.29 -37.28 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -46.55 89.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.325 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 72' ' ' ALA . 7.9 pt-20 -61.84 -34.62 76.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.414 ' N ' ' HG3' ' A' ' 71' ' ' GLU . . . -81.57 -24.11 36.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -58.38 -60.28 9.23 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.69 29.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.651 0.262 . . . . 0.0 111.566 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.405 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -100.2 -73.3 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.188 0.518 . . . . 0.0 110.766 179.64 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 tp -100.13 137.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.023 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -66.48 170.57 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.806 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.49 71.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -92.67 145.63 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.4 p 81.83 -36.66 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.483 -179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 64.38 15.36 9.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 85' ' ' GLU . 13.1 mtpt -77.59 -22.89 50.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' CD2' ' A' ' 87' ' ' HIS . 8.7 pt -74.08 -33.18 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 110.261 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -69.23 -45.08 70.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.203 179.354 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -73.55 -12.16 60.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.385 179.052 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.07 -29.48 9.0 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.41 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 83' ' ' ILE . 4.7 p80 -104.19 -30.18 10.36 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.813 0.34 . . . . 0.0 110.956 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.406 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . 12.1 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 t80 62.85 145.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.2 mp -59.26 103.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.13 97.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.69 86.48 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.3 tp -60.05 129.91 44.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -141.63 72.64 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.0 135.48 15.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.28 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 mt -104.52 130.64 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.085 0.469 . . . . 0.0 111.399 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' A' ' 17' ' ' GLU . 3.1 m-85 -104.31 122.93 46.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.273 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.402 ' N ' ' HB3' ' A' ' 15' ' ' LEU . 9.9 t -100.83 146.07 27.76 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.455 ' HB2' ' H ' ' A' ' 13' ' ' LYS . 0.9 OUTLIER 38.33 -145.73 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.494 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.455 ' H ' ' HB2' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -87.65 -43.19 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.703 0.287 . . . . 0.0 111.174 -179.33 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' PRO . 1.5 t70 -56.52 -23.13 37.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.042 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.5 ' HB2' ' HB3' ' A' ' 10' ' ' PHE . 0.4 OUTLIER -13.5 78.28 0.02 OUTLIER Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.588 ' O ' ' N ' ' A' ' 18' ' ' GLU . 93.8 Cg_endo -98.08 47.53 0.09 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 122.86 2.373 . . . . 0.0 113.255 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.575 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 1.6 tt0 44.53 -82.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.216 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 16' ' ' PRO . 25.1 tt0 -162.48 31.3 0.11 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.168 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.91 -61.03 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.362 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.402 ' HG3' ' HD2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -149.94 151.96 33.29 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-O 120.72 0.295 . . . . 0.0 111.295 -179.568 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.536 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 24.4 Cg_exo -63.55 114.46 2.55 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.975 2.45 . . . . 0.0 112.607 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.21 -61.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.444 HG23 ' CD2' ' A' ' 10' ' ' PHE . 35.4 m -71.23 -9.41 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.65 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -48.49 -27.93 3.01 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.878 0.37 . . . . 0.0 110.665 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -60.23 -37.59 80.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.391 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.9 tttm -59.67 -41.22 90.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.57 179.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.44 70.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.475 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.55 11.08 56.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.67 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.6 mt -50.57 -24.94 3.58 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.88 0.372 . . . . 0.0 111.345 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 6.9 pt-20 -176.28 43.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.042 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER 47.4 40.22 10.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.643 -179.784 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -54.04 -66.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.204 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -164.07 106.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.35 78.85 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 t -89.12 164.69 14.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -98.53 -15.5 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.6 25.83 11.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.178 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.35 171.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.772 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -155.96 116.86 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.232 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 18.7 mt -137.21 160.91 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 179.622 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -152.27 137.93 17.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.961 0.41 . . . . 0.0 111.86 -179.773 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.7 mm -109.47 127.1 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.536 179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 31.1 mt -111.46 123.48 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 111.76 -179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.78 142.67 50.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.016 179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.7 mp -145.97 66.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.372 . . . . 0.0 111.634 -179.435 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.43 29.44 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.07 56.7 3.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.271 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 25.7 p 47.34 70.93 0.36 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 48' ' ' THR . 13.5 pt20 45.73 52.77 9.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.016 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.19 154.91 42.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -148.9 -177.29 5.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.768 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -124.97 130.67 52.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 28.1 t -108.27 99.22 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -109.47 145.64 35.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.038 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -99.87 132.83 44.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -108.65 128.92 55.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.94 35.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.3 p 63.21 135.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.988 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -159.39 28.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 45.49 -169.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.441 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.16 132.0 39.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.5 p -179.09 160.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -53.33 -22.88 7.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.603 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 mm-40 -59.57 -50.64 73.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' ' CE1' ' A' ' 59' ' ' TYR . 3.3 pt -64.8 -24.55 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.303 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.81 -34.48 52.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.686 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -86.82 -37.84 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -56.0 26.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.2 -51.19 64.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.745 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.17 -31.08 63.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.546 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.422 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 4.5 mm-40 -66.33 -44.21 83.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.419 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' CE1' ' A' ' 78' ' ' HIS . . . -77.49 -25.22 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.055 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -57.05 -59.22 11.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.19 58.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 111.217 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -95.77 177.95 5.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.947 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.41 ' N ' ' CD1' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -56.42 117.82 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.421 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 t30 54.93 104.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.363 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.4 ' CE1' ' O ' ' A' ' 72' ' ' ALA . 23.0 t-80 -142.21 77.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.1 t -177.31 37.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.968 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 2.1 t -111.12 -17.32 13.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tp 66.96 18.46 10.6 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.8 mmtt -78.88 -55.62 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.771 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 pt -55.49 -33.62 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.781 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.31 -36.52 77.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.125 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.67 -13.97 60.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.626 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.51 -29.75 7.26 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.851 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 3.8 p-80 -111.89 -33.53 6.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.757 0.313 . . . . 0.0 111.089 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 87' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.781 0.324 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.409 ' O ' HG21 ' A' ' 3' ' ' ILE . 3.1 t80 61.37 105.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.882 179.819 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER 48.54 -175.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.624 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 3' ' ' ILE . . . -148.83 81.89 1.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.1 p -101.81 81.88 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.17 127.7 43.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 17.7 tptt -107.63 110.88 22.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.94 168.2 13.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.435 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 tt -154.65 131.32 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.279 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.485 ' CZ ' ' HB2' ' A' ' 17' ' ' GLU . 3.5 m-85 -104.15 138.89 39.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.639 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.584 ' O ' ' O ' ' A' ' 12' ' ' LEU . 0.6 OUTLIER -108.72 105.73 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.985 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.584 ' O ' ' O ' ' A' ' 11' ' ' THR . 1.0 OUTLIER 49.24 132.62 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.526 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -31.65 0.08 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.673 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.524 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.1 t70 -55.55 -40.31 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.54 95.91 4.8 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.15 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.524 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 65.1 Cg_endo -86.63 69.62 4.24 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.686 2.257 . . . . 0.0 112.501 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.485 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 4.5 tp10 64.95 -65.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.054 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.419 ' N ' ' O ' ' A' ' 16' ' ' PRO . 38.2 tt0 -165.75 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -150.56 -84.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -72.22 129.3 87.8 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.675 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -87.73 116.35 1.08 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.924 2.416 . . . . 0.0 112.158 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.477 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -100.15 -70.16 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.127 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.412 HG12 ' CD2' ' A' ' 10' ' ' PHE . 12.3 p -53.1 -19.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.793 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -44.29 -36.61 2.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 6.8 p90 -65.23 -33.67 76.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.674 0.273 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -71.78 -30.29 65.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.96 0.409 . . . . 0.0 110.264 179.505 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.93 61.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.54 25.05 5.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.617 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.66 -17.47 55.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 111.207 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.69 39.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.019 0.438 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.27 42.09 31.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.11 142.39 36.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.903 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.78 110.61 19.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.81 151.44 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -168.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.39 80.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -170.19 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.051 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -48.8 95.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.427 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -108.73 125.65 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.438 ' CD1' ' CE1' ' A' ' 55' ' ' PHE . 3.4 mm -108.48 163.52 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.215 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -136.2 119.27 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.418 HD13 ' CE1' ' A' ' 10' ' ' PHE . 28.0 mt -102.3 125.56 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 37.6 mt -128.57 137.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.806 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.81 129.1 27.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 4.8 mp -145.53 73.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.567 179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.35 -81.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.3 37.96 1.8 Allowed Glycine 0 C--N 1.334 0.425 0 C-N-CA 121.232 -0.509 . . . . 0.0 112.907 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.3 43.51 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 110.525 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 68.59 66.4 0.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.818 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.6 p -161.1 -174.56 4.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -153.83 144.57 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -90.78 159.89 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.9 t -137.45 141.48 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -137.75 130.79 30.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.438 ' CE1' ' CD1' ' A' ' 40' ' ' ILE . 0.1 OUTLIER -92.84 112.42 24.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -91.11 86.37 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.816 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -30.15 60.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.82 93.72 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.477 ' CZ ' ' HB ' ' A' ' 65' ' ' ILE . 6.1 t80 -105.04 91.89 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -123.44 -178.08 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.78 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p 60.69 -179.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.404 ' HA ' ' CG1' ' A' ' 65' ' ' ILE . 5.9 m -146.53 178.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t0 74.7 -57.22 0.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.498 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -40.3 25.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.361 . . . . 0.0 110.949 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.477 ' HB ' ' CZ ' ' A' ' 59' ' ' TYR . 2.5 pp -61.18 -32.17 52.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -75.82 -43.67 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.004 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -74.41 -37.2 63.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.53 -40.81 92.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.805 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.0 tp -71.86 -44.26 64.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.737 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.71 -38.22 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.738 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 3.7 tt0 -68.17 -43.02 79.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.742 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.19 10.03 13.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -97.95 -59.08 0.96 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.731 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.16 -2.76 6.98 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -77.67 -157.19 0.09 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.119 -0.233 . . . . 0.0 110.616 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mt -44.62 159.15 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-O 120.772 0.32 . . . . 0.0 111.373 -179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -78.87 56.64 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.283 -179.708 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.9 m170 45.01 29.65 0.49 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.533 179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' A' ' 80' ' ' THR . 0.6 OUTLIER 45.38 -166.03 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.433 ' N ' ' CG2' ' A' ' 79' ' ' THR . 10.1 t -69.54 62.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 111.4 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.8 mt 44.63 27.77 0.27 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.942 179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.05 -42.01 27.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.819 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 12.0 tt -57.9 -41.21 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.701 179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 4.6 mp -63.41 -43.34 97.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.093 179.352 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.75 -19.69 65.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.502 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.8 -32.78 23.29 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.691 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -171.19 68.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.857 0.361 . . . . 0.0 111.321 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.985 179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.867 0.365 . . . . 0.0 111.155 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.453 ' CD2' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -168.49 150.09 4.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.453 ' CD1' ' CD2' ' A' ' 2' ' ' PHE . 1.8 mp 62.2 112.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.08 97.42 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.031 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.89 144.26 52.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.38 140.13 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 6.8 mtpt -148.74 136.97 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.89 136.61 5.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.575 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.06 105.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.534 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 3.3 m-85 -100.06 137.37 38.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.77 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 14' ' ' ASP . 3.1 p -103.49 114.99 29.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.499 ' C ' ' O ' ' A' ' 11' ' ' THR . 9.0 tp -2.4 -79.01 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.54 -43.98 62.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.358 -179.104 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' THR . 12.2 m-20 -91.5 38.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.223 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.534 ' O ' ' CD2' ' A' ' 10' ' ' PHE . 0.2 OUTLIER -47.07 -62.6 1.89 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.943 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.453 ' HG3' ' HA ' ' A' ' 21' ' ' PRO . 90.0 Cg_endo -78.18 50.7 3.42 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.758 2.305 . . . . 0.0 113.159 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -40.38 -31.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.235 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.43 ' C ' ' CG ' ' A' ' 19' ' ' PHE . 26.4 mt-10 -65.56 -68.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.829 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -170.89 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.576 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.41 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 12.7 tpt85 -53.78 130.32 56.25 Favored Pre-proline 0 CA--C 1.531 0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.805 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.453 ' HA ' ' HG3' ' A' ' 16' ' ' PRO . 31.9 Cg_endo -93.15 108.94 0.19 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.282 2.655 . . . . 0.0 112.67 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -100.45 -81.91 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.257 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.439 ' CG1' ' CD1' ' A' ' 15' ' ' LEU . 3.1 p -72.06 -7.72 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.578 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -51.14 -28.16 10.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.905 0.383 . . . . 0.0 110.006 179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.41 ' O ' ' N ' ' A' ' 29' ' ' LEU . 5.3 p90 -54.09 -37.71 64.54 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.014 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -44.53 67.52 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.332 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.68 67.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.074 0.464 . . . . 0.0 109.963 178.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.63 32.34 4.87 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.107 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.449 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 1.3 tt -71.73 52.76 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER 85.26 62.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.305 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 tptp 61.23 45.95 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.093 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -65.52 -66.04 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.538 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -176.87 122.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.581 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -107.48 42.48 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.106 0.479 . . . . 0.0 110.89 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' ASP . 31.4 t -100.41 94.84 6.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.512 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.77 83.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.968 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 3.6 m-20 -170.26 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.914 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.7 140.11 3.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.182 -179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.33 133.45 44.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.282 -179.644 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 33.6 mt -147.96 125.94 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.823 179.66 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.04 142.38 51.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.918 0.39 . . . . 0.0 111.424 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.45 ' CD1' ' CG ' ' A' ' 10' ' ' PHE . 4.1 mp -122.93 134.84 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.787 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 33.0 pt -139.11 155.83 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 111.546 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -119.52 165.44 14.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.477 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 9.9 pt -149.6 41.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 111.554 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.61 25.44 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.83 73.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.316 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 49' ' ' GLN . 1.7 p 69.21 -63.25 0.38 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.647 0.261 . . . . 0.0 110.758 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' N ' ' OG1' ' A' ' 48' ' ' THR . 1.4 tt0 179.24 59.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.6 p -169.87 -174.46 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.58 165.23 31.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -113.87 135.01 54.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 12.2 p -100.54 128.26 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mt -126.28 133.59 51.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.92 133.26 35.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.639 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.9 mt -92.57 79.54 4.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.947 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -75.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.77 76.02 4.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.45 ' CD2' ' CD1' ' A' ' 65' ' ' ILE . 0.2 OUTLIER -126.79 94.93 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -137.17 -62.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.4 p -88.32 132.11 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.2 m -61.3 179.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.13 -66.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.18 -28.87 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.45 ' CD1' ' CD2' ' A' ' 59' ' ' TYR . 26.4 pt -95.99 -38.8 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -60.81 -49.1 78.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -66.0 -31.89 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.18 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 tp -65.44 -50.73 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.25 -33.43 58.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 0.0 110.544 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -62.96 -43.25 99.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.345 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.28 -20.33 51.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.067 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -60.32 -65.62 3.24 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.65 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.39 50.2 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.948 0.404 . . . . 0.0 111.484 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.02 159.08 15.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.3 mp -56.09 129.84 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.242 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.77 96.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -101.94 -31.46 10.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.676 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -58.03 -82.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.709 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.406 ' CG2' ' C ' ' A' ' 79' ' ' THR . 0.1 OUTLIER 50.18 -65.21 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.317 0.647 . . . . 0.0 112.284 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.676 ' N ' ' O ' ' A' ' 79' ' ' THR . 0.3 OUTLIER 80.17 -11.3 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.145 -178.762 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -53.41 6.54 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.232 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.1 -34.24 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.013 0.435 . . . . 0.0 110.263 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 tp -66.49 -36.52 82.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.153 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.68 -28.08 67.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.623 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -111.4 13.65 28.02 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.828 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -113.34 -35.66 5.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.797 0.332 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.872 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.69 0.281 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -133.18 16.36 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.291 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mt 52.6 85.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.776 0.322 . . . . 0.0 111.302 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.41 107.65 18.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.4 p -78.51 108.69 12.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 102.74 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -98.46 118.67 35.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.788 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.47 112.89 2.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.66 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -90.29 78.74 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.557 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 6.7 m-30 -94.19 87.67 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.2 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.452 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.7 t -106.18 158.24 16.98 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.52 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.452 ' HG ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER 39.49 -166.49 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.807 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.86 -22.66 49.18 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.822 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.457 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 8.2 t70 -86.63 16.12 4.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.305 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.654 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 3.9 pp -70.41 -24.22 0.75 Allowed Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.654 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 76.6 Cg_exo -54.39 59.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.483 2.122 . . . . 0.0 113.878 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 15' ' ' LEU . 2.8 tp10 31.28 36.13 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.136 0.574 . . . . 0.0 112.446 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' PRO . 2.6 tm-20 46.9 27.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.301 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 55.7 m-85 -159.0 -79.63 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.35 126.38 27.65 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.005 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' CA ' ' HB3' ' A' ' 16' ' ' PRO . 18.4 Cg_exo -66.12 112.47 2.3 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.569 2.18 . . . . 0.0 112.635 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.03 -67.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.418 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 13.5 m -81.28 -3.63 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.179 179.314 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.59 -24.37 60.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.801 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 1.7 p90 -65.26 -37.85 88.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.491 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -64.25 -26.21 68.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.482 179.509 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -30.07 66.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.61 27.25 5.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.685 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -80.07 -18.72 49.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.727 0.299 . . . . 0.0 111.261 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.446 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 1.2 tt0 -149.35 39.1 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.146 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 44.08 38.13 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.826 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.1 tmtp? -51.09 -26.14 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.245 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 63.21 123.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.116 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.423 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -156.68 149.44 23.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.666 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 t -100.2 -81.92 0.46 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -142.79 18.68 1.99 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.222 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.99 -18.94 16.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.988 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 88.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.005 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -98.51 121.18 40.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 11.2 mm -119.5 150.66 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.083 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.7 113.22 4.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.42 HD13 ' CE2' ' A' ' 10' ' ' PHE . 15.1 mt -98.42 112.52 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 mt -105.14 134.09 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.805 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . 0.438 ' HB3' ' HA ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -153.82 125.13 7.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.243 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 3.7 mp -81.58 -29.32 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.257 179.267 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -129.88 -175.07 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.104 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.76 -23.27 3.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.784 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.9 t -103.5 -27.39 12.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -102.98 -71.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.04 141.33 40.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.947 0.403 . . . . 0.0 111.181 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.438 ' HA ' ' HB3' ' A' ' 44' ' ' SER . 8.8 t-20 -179.96 75.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.46 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -118.39 154.75 31.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.411 . . . . 0.0 111.49 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 7.1 p -130.36 121.85 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.808 179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 mt -100.21 155.31 17.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.978 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -113.56 140.26 48.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.788 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -145.79 132.18 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -88.54 -55.71 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.59 148.47 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CZ ' HD13 ' A' ' 65' ' ' ILE . 10.2 t80 -137.8 139.18 39.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -142.08 -171.82 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.639 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.6 p -103.62 109.82 21.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.41 ' CG2' ' CG2' ' A' ' 65' ' ' ILE . 0.9 OUTLIER -151.04 19.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.657 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.17 -58.11 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.723 0.297 . . . . 0.0 111.644 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -58.17 -41.98 85.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.966 0.413 . . . . 0.0 110.686 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.452 HD13 ' CZ ' ' A' ' 59' ' ' TYR . 2.1 pp -52.06 -46.01 42.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.086 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 5.7 ptm180 -81.82 -36.3 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -59.54 -35.66 74.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.48 -44.05 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.25 -53.97 50.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.36 -36.42 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.46 -29.24 46.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.27 69.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -90.19 -31.29 10.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.537 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.68 54.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.031 0.443 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -169.36 0.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.996 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mt -84.9 -61.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.233 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -105.95 -25.82 11.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 64.52 -176.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t 43.24 92.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.462 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -122.3 -56.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.67 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.485 ' HB2' ' O ' ' A' ' 80' ' ' THR . 11.3 mt 71.73 -42.62 0.54 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.936 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -54.06 -44.56 71.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.592 0.234 . . . . 0.0 111.359 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 10.5 pt -61.3 -35.14 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.373 . . . . 0.0 110.602 179.753 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.0 -34.45 78.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.301 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -24.16 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.509 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.11 -31.74 37.82 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.693 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -132.05 34.58 3.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 111.349 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.971 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.8 mm? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.829 0.347 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -58.16 169.39 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.99 124.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.55 108.38 19.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.0 167.85 11.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.61 90.72 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -112.11 154.08 26.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.33 164.83 38.2 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.409 ' N ' ' CD1' ' A' ' 9' ' ' ILE . 3.3 mp -115.56 111.59 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.906 0.384 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 3.4 m-30 -109.52 111.32 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.813 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.408 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -76.54 133.69 39.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.348 179.578 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.441 ' HB3' ' CE ' ' A' ' 13' ' ' LYS . 2.0 mm? -45.08 -31.53 1.41 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.688 0.28 . . . . 0.0 111.583 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' CE ' ' HB3' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.05 -66.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.655 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.29 48.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.538 ' HB2' ' HD3' ' A' ' 16' ' ' PRO . 46.5 mt -50.52 -47.57 83.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.549 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PRO . . . . . 0.538 ' HD3' ' HB2' ' A' ' 15' ' ' LEU . 8.2 Cg_endo -89.26 47.76 1.08 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.814 2.343 . . . . 0.0 112.608 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.9 tt0 -16.65 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.988 0.805 . . . . 0.0 112.145 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 2.1 mm-40 -77.52 -68.12 0.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.722 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.609 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 94.7 m-85 -168.62 -63.22 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -40.72 100.6 0.22 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.476 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.1 99.35 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.937 2.425 . . . . 0.0 112.449 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.22 -72.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 3.7 m -65.74 -7.01 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.849 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' HA ' ' CD1' ' A' ' 15' ' ' LEU . 17.6 p-10 -48.03 -28.91 3.08 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.043 0.449 . . . . 0.0 110.572 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.5 p90 -63.16 -30.19 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.642 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -69.54 -31.03 68.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.469 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -76.6 -13.56 60.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.863 179.361 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.69 26.7 2.38 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.802 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' TYR . 1.4 pt? -66.54 -14.2 62.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.74 0.305 . . . . 0.0 111.445 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -171.41 66.54 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.664 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 1.8 pttp 51.47 37.49 19.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.322 0.582 . . . . 0.0 110.788 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 41.3 tttt -99.45 28.82 4.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.917 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -78.28 88.34 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -93.26 -173.74 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.27 -173.09 2.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -59.62 90.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.818 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -161.85 -43.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.409 ' HB3' ' CG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -82.68 157.42 23.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.902 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -149.52 169.64 20.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 19.8 mt -136.09 159.92 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.271 -179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -128.37 113.14 15.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.797 179.725 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.426 HD11 ' CG ' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -106.74 135.5 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.252 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 mt -138.83 125.28 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.82 118.33 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.4 mm -81.07 -37.91 16.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -165.38 119.63 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.661 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.9 -29.1 61.48 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.605 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.3 m -83.24 -28.4 29.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -82.71 -67.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.15 165.33 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -114.57 168.54 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.491 ' CE1' ' CE1' ' A' ' 78' ' ' HIS . 37.4 m-70 -137.47 142.46 41.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.8 p -134.34 121.93 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.5 mt -132.44 143.28 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -107.44 145.44 32.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -106.23 119.94 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -42.52 60.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.46 -82.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.5 t80 49.7 94.03 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.173 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -148.48 98.79 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 23.1 t 57.4 81.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 1.8 m -162.81 119.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.82 -27.05 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.36 -58.07 9.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 29.7 mt -65.7 -35.88 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -61.54 -37.82 85.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -83.96 -31.09 25.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -68.56 -54.29 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.5 -51.45 69.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -52.82 -28.74 24.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.586 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.406 ' HA ' ' CB ' ' A' ' 75' ' ' LYS . 2.5 mt-10 -67.67 -45.47 75.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -15.25 63.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.287 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.1 -67.26 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.815 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.33 -6.02 12.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.406 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -100.01 -145.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.587 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.6 mt -40.0 134.39 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.834 0.35 . . . . 0.0 111.562 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -55.58 177.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.491 ' CE1' ' CE1' ' A' ' 52' ' ' HIS . 11.7 m80 -81.11 -24.6 37.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 p 59.02 54.4 5.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 p 57.79 -164.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.62 -4.79 36.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.474 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -48.61 -31.7 7.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.712 0.291 . . . . 0.0 111.208 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 6.0 pt -63.87 -33.68 63.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.747 179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.418 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 4.0 mp -66.08 -40.64 90.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.172 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -25.31 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.342 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.28 -35.72 47.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.516 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.14 76.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.418 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.952 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.796 0.332 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.25 135.07 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.7 95.01 4.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 p -134.03 142.04 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.28 109.42 10.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -103.57 140.12 37.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.75 148.62 20.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.402 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.7 mt -108.27 92.91 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.988 0.423 . . . . 0.0 111.201 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.574 ' HD2' HD12 ' A' ' 15' ' ' LEU . 3.6 m-85 -89.38 119.55 29.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.7 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.613 ' O ' HD12 ' A' ' 12' ' ' LEU . 3.9 p -143.65 162.71 35.23 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.599 0.714 . . . . 0.0 112.355 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 45.35 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.805 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE2' HD22 ' A' ' 34' ' ' LEU . 25.3 mmtp -72.51 -18.41 61.66 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.592 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 21.5 t70 -89.08 15.47 8.67 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.637 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.611 ' CD1' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -59.27 -31.02 8.63 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 33.3 Cg_exo -62.06 64.57 0.12 Allowed 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.345 2.03 . . . . 0.0 112.934 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 16' ' ' PRO . 10.7 mt-10 -20.64 97.29 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.931 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 0.6 OUTLIER 79.87 -62.36 0.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.182 -179.698 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 4.6 m-85 -171.43 37.95 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.586 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -112.97 76.64 2.33 Favored Pre-proline 0 C--N 1.33 -0.263 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.46 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.3 55.72 5.48 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.617 2.212 . . . . 0.0 112.388 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -74.0 -68.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.65 ' CG1' HG11 ' A' ' 53' ' ' VAL . 3.5 m -62.31 -13.81 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.774 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -46.26 -30.11 1.89 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.869 0.366 . . . . 0.0 110.966 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -61.11 -34.8 75.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.13 79.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.43 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.756 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.03 18.12 11.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.573 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.94 HD13 ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -57.54 -20.63 33.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.786 0.327 . . . . 0.0 111.458 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.94 ' N ' HD13 ' A' ' 29' ' ' LEU . 16.5 tt0 -179.73 45.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.43 46.12 7.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.775 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -68.65 -168.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -59.45 127.83 34.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.426 HD22 ' HE2' ' A' ' 13' ' ' LYS . 18.2 mt -144.71 54.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -100.22 39.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.65 22.52 6.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.15 24.86 5.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.901 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.7 86.8 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.597 ' CB ' HG22 ' A' ' 11' ' ' THR . 7.0 pt-20 -97.62 125.68 42.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.312 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.17 129.63 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.67 123.99 35.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.524 HG12 HG12 ' A' ' 53' ' ' VAL . 28.5 mt -118.8 120.67 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.877 HD13 ' HA2' ' A' ' 73' ' ' GLY . 2.6 mt -127.44 127.26 68.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 p -107.02 121.68 44.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.781 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.0 pt -120.15 179.37 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 65.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.89 50.82 0.79 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.75 43.94 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.035 0.445 . . . . 0.0 110.758 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 66.38 67.39 0.45 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.6 m -163.92 -174.26 3.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -158.68 -178.51 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -142.35 160.28 40.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.65 HG11 ' CG1' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -114.2 168.19 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' CD2' HD21 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -156.16 114.16 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.535 ' HB3' HD11 ' A' ' 88' ' ' LEU . 20.7 t80 -71.59 132.1 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.715 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 59' ' ' TYR . 7.0 mp -117.41 135.47 53.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.9 m -99.71 -33.98 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.751 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -166.17 114.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.553 ' HB2' HD23 ' A' ' 56' ' ' LEU . 72.9 t80 -110.05 -24.78 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.064 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -73.2 103.02 3.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 t -167.87 -81.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 64' ' ' GLU . 4.3 p -163.62 177.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.058 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.711 ' H ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -42.94 -25.92 0.12 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.791 ' H ' HG13 ' A' ' 62' ' ' VAL . 1.8 tm-20 -41.79 -32.36 0.39 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.492 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -110.5 -20.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.721 0.296 . . . . 0.0 111.33 179.489 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.7 ttm-85 -57.91 -51.52 69.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.891 0.377 . . . . 0.0 110.709 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -76.67 -31.61 57.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.672 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.86 -36.92 85.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tp -78.78 -39.05 36.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.687 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.16 -43.89 78.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.999 0.428 . . . . 0.0 110.555 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.86 -45.8 63.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.252 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.11 -24.33 25.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.061 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.877 ' HA2' HD13 ' A' ' 43' ' ' ILE . . . -81.96 -37.17 16.58 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.596 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.94 72.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.824 0.345 . . . . 0.0 111.387 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -100.0 -168.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.776 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 77' ' ' ASN . 6.9 tp -86.21 -44.83 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.802 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.479 ' N ' HG23 ' A' ' 76' ' ' ILE . 1.5 m120 -85.7 -88.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.257 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 57.06 175.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.794 0.33 . . . . 0.0 110.968 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.52 30.89 19.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -100.77 -27.67 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.513 HD12 HD13 ' A' ' 84' ' ' LEU . 2.9 tp 77.27 -0.46 2.88 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.576 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -61.72 1.93 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.729 0.3 . . . . 0.0 110.669 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 pt -54.81 -29.92 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.445 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.513 HD13 HD12 ' A' ' 81' ' ' LEU . 1.2 mt -68.92 -36.91 78.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.063 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -29.83 70.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.46 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.99 -27.21 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.425 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.1 -52.17 4.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 55' ' ' PHE . 4.1 mm? . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.684 0.278 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 mm -74.88 140.51 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.37 93.43 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -98.57 74.36 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.596 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.54 153.09 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.66 75.92 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.16 107.52 2.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 pt -73.13 82.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 111.374 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.887 ' HB3' HD12 ' A' ' 15' ' ' LEU . 2.2 m-30 -69.94 135.34 49.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.448 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.723 HG22 ' HG2' ' A' ' 39' ' ' GLU . 64.7 p -138.56 146.78 42.26 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.762 0.792 . . . . 0.0 112.798 -178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' A' ' 14' ' ' ASP . 0.6 OUTLIER 41.38 -164.31 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.701 179.605 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -21.07 64.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.294 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.55 ' HB2' HD11 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -86.7 14.36 7.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.371 . . . . 0.0 110.96 179.378 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.012 HD23 ' HD3' ' A' ' 16' ' ' PRO . 1.3 pt? -68.11 -18.63 0.43 Allowed Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 1.012 ' HD3' HD23 ' A' ' 15' ' ' LEU . 3.8 Cg_exo -79.23 53.82 4.89 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 121.729 1.619 . . . . 0.0 112.52 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.69 80.83 1.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.714 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -178.41 -31.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.457 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -166.52 -79.33 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.175 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.18 172.46 5.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.964 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HA ' ' CG ' ' A' ' 16' ' ' PRO . 85.5 Cg_exo -45.62 92.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.677 2.252 . . . . 0.0 112.692 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 23.1 t80 -85.78 -75.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.761 ' CG2' HD11 ' A' ' 15' ' ' LEU . 29.3 m -62.38 -14.29 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.256 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -47.24 -28.3 1.86 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.981 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 3.6 p90 -62.09 -33.48 74.51 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.778 0.323 . . . . 0.0 110.402 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 20.5 tttt -79.78 -28.92 40.26 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.25 -21.87 53.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.348 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.64 36.03 1.74 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.352 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 29' ' ' LEU . 1.4 pt? -47.96 -24.46 1.06 Allowed 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.2 tt0 -158.02 69.14 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.426 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 47.96 43.24 17.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.279 0.561 . . . . 0.0 110.784 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -74.38 4.14 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.768 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 76.64 132.01 0.05 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.9 0.381 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.0 mm? -100.22 108.7 20.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.17 174.62 7.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -108.87 -26.38 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -86.87 -15.63 38.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.308 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.31 157.12 2.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.874 0.368 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.723 ' HG2' HG22 ' A' ' 11' ' ' THR . 1.7 mp0 -151.79 148.24 27.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.567 HD13 ' O ' ' A' ' 39' ' ' GLU . 19.4 mm -131.88 147.98 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.891 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -118.32 115.83 25.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.194 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 1.054 HD13 HG13 ' A' ' 53' ' ' VAL . 25.4 mm -109.02 101.83 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mm -98.02 142.89 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.512 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -139.8 147.74 41.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.457 HG12 ' HB2' ' A' ' 51' ' ' ASN . 0.8 OUTLIER -155.24 164.4 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.651 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.09 67.83 0.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.155 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.49 14.59 59.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.468 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m 75.99 2.54 3.65 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 179.58 61.99 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.739 0.304 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m 65.24 -163.95 0.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.601 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.512 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 44.8 t30 -130.3 -104.51 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.425 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.486 ' CE1' ' CD2' ' A' ' 78' ' ' HIS . 5.0 p-80 -151.6 170.03 20.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.834 0.35 . . . . 0.0 111.15 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 1.054 HG13 HD13 ' A' ' 42' ' ' ILE . 21.6 t -125.06 150.29 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.167 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.94 148.41 52.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -101.37 108.54 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.891 HD11 ' HB2' ' A' ' 41' ' ' ALA . 12.5 mt -85.99 91.79 8.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.7 p -66.89 -50.69 61.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.22 106.93 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.646 ' OH ' HD13 ' A' ' 65' ' ' ILE . 76.2 t80 -62.43 144.07 56.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 14.0 m120 -90.13 -160.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.753 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.5 t -133.84 -44.92 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.3 . . . . 0.0 111.063 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.6 m -52.55 168.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.346 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.82 -20.65 52.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -53.82 -24.01 14.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 111.039 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.646 HD13 ' OH ' ' A' ' 59' ' ' TYR . 2.5 pp -55.99 -41.91 69.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.444 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.598 ' N ' HD12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -79.11 -38.77 35.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -58.22 -50.08 74.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.182 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -60.42 -51.45 69.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.08 -58.67 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.219 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.18 -33.37 8.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 9.2 mt-10 -63.26 -43.9 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.337 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.27 -24.44 46.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.121 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.66 -65.67 3.41 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.382 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.55 28.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.041 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.24 -77.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.167 0.508 . . . . 0.0 111.032 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 77' ' ' ASN . 16.9 mm -67.04 159.9 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.137 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.468 ' N ' HG22 ' A' ' 76' ' ' ILE . 9.4 t-20 -59.35 -22.43 61.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.762 ' O ' HG22 ' A' ' 79' ' ' THR . 56.7 t-80 63.94 165.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 78' ' ' HIS . 4.5 t 56.93 137.69 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.585 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 79' ' ' THR . 0.8 OUTLIER 168.64 -31.22 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.782 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 84' ' ' LEU . 4.3 mt 70.79 2.5 4.19 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.762 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -86.17 -45.65 11.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 110.515 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.502 HG13 HD12 ' A' ' 84' ' ' LEU . 8.4 pt -61.0 -32.55 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.426 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.62 ' HG ' HD23 ' A' ' 88' ' ' LEU . 3.9 mp -69.31 -45.51 69.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.804 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.87 -20.39 66.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.372 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.4 -32.21 25.8 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.826 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -169.15 65.04 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.823 0.344 . . . . 0.0 111.297 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.62 HD23 ' HG ' ' A' ' 84' ' ' LEU . 7.9 tp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.013 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.6 t80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.47 HG22 HG23 ' A' ' 5' ' ' THR . 27.1 mm 65.59 68.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.18 88.13 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.65 ' C ' HD13 ' A' ' 6' ' ' LEU . 15.9 p -97.96 165.7 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.664 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -155.53 171.32 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.616 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.59 140.71 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 111.175 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.65 115.69 5.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.248 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.8 mt -94.43 109.85 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 111.463 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -143.61 162.59 35.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.013 179.549 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.452 HG21 ' HG2' ' A' ' 39' ' ' GLU . 3.6 p -151.84 160.89 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 111.173 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 1.039 HD12 ' HB1' ' A' ' 27' ' ' ALA . 3.6 tt -48.3 -29.86 4.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.222 0.534 . . . . 0.0 110.815 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.547 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -100.15 -33.94 10.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.646 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -100.16 40.18 1.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.369 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' HG3' ' A' ' 21' ' ' PRO . 1.1 mp -26.93 143.29 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.781 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 99.1 Cg_exo -44.66 94.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.758 2.305 . . . . 0.0 112.3 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.4 -5.54 24.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.504 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -66.72 -35.21 79.59 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.694 0.283 . . . . 0.0 111.579 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -170.22 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.477 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 7.9 ttm180 -135.15 137.53 27.05 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-O 120.669 0.271 . . . . 0.0 111.641 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HG3' HD23 ' A' ' 15' ' ' LEU . 51.7 Cg_exo -54.52 104.86 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.723 2.282 . . . . 0.0 112.697 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -100.37 -28.48 12.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.869 HG21 HG21 ' A' ' 40' ' ' ILE . 14.7 p -100.1 -13.79 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.819 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' OD1' HD11 ' A' ' 15' ' ' LEU . 34.6 t70 -48.78 -27.96 3.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -62.78 -40.43 97.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.552 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -24.54 67.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.612 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 1.039 ' HB1' HD12 ' A' ' 12' ' ' LEU . . . -72.39 -38.89 68.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.848 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -79.7 -19.38 70.91 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.605 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -8.36 68.17 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.38 1.072 . . . . 0.0 113.055 -179.379 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.617 ' N ' ' O ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER 98.68 58.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.334 -1.303 . . . . 0.0 112.092 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 12.7 pttp 46.69 42.35 11.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.312 0.577 . . . . 0.0 110.925 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 12.5 tttt -69.4 -6.59 31.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.697 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' O ' HD11 ' A' ' 12' ' ' LEU . 0.7 OUTLIER 69.52 -172.94 0.18 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.7 0.286 . . . . 0.0 110.865 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.838 HD23 ' CD2' ' A' ' 12' ' ' LEU . 2.6 mp -108.74 84.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 111.385 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.452 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -100.22 140.24 34.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.977 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.519 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 13.7 m-20 -58.71 -16.38 16.26 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.705 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -78.2 3.57 14.88 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 11' ' ' THR . 18.2 m-20 -95.9 103.05 14.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.61 0.243 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.452 ' HG2' HG21 ' A' ' 11' ' ' THR . 0.0 OUTLIER -125.54 136.85 53.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.869 HG21 HG21 ' A' ' 23' ' ' VAL . 3.1 mp -136.52 149.96 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.449 . . . . 0.0 111.606 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.66 96.5 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.881 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.699 HG12 HG13 ' A' ' 53' ' ' VAL . 42.2 mt -82.74 136.71 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.545 HG21 ' HA2' ' A' ' 73' ' ' GLY . 15.4 mm -118.71 152.44 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.74 122.03 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.3 pt -114.97 -42.48 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.236 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -178.03 37.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.29 52.42 0.69 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 50.02 71.01 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.815 0.34 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 61.2 31.72 19.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 p -178.29 -176.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -174.39 -81.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.29 174.9 10.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.699 HG13 HG12 ' A' ' 42' ' ' ILE . 23.7 t -148.2 114.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.986 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.529 HD11 ' HB1' ' A' ' 72' ' ' ALA . 68.6 mt -108.27 165.57 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' HG13 ' A' ' 40' ' ' ILE . 1.3 t80 -118.71 111.64 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.82 138.46 57.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -99.96 -76.18 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.1 t -110.43 -77.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.075 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.565 ' HA ' HD13 ' A' ' 65' ' ' ILE . 9.1 t80 63.81 119.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -130.89 35.98 3.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.064 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 t 60.42 30.73 20.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.739 ' CG2' HD12 ' A' ' 65' ' ' ILE . 6.5 m -97.98 144.06 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.64 -27.59 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.57 -31.9 73.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.739 HD12 ' CG2' ' A' ' 62' ' ' VAL . 17.3 mt -105.45 -29.05 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -43.47 92.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.779 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.7 -29.83 62.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -58.23 -45.22 88.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.97 -57.11 5.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.698 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -49.25 -37.14 22.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.126 0.489 . . . . 0.0 110.125 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HA ' ' HG2' ' A' ' 75' ' ' LYS . 7.3 mt-10 -63.32 -53.82 46.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.061 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -61.16 -22.88 65.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.657 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.545 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -63.03 -46.58 93.17 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.445 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.78 61.5 0.47 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 1.8 mmmt -99.36 -93.96 0.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.817 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.582 ' O ' HG22 ' A' ' 76' ' ' ILE . 21.3 mt -100.25 26.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.205 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p30 44.27 30.28 0.44 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.516 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.2 m80 57.23 105.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 t -112.25 -35.08 5.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.2 p -132.36 165.87 23.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.474 HD22 HD13 ' A' ' 84' ' ' LEU . 17.5 mt -101.18 4.57 42.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.32 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -28.26 67.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.727 0.299 . . . . 0.0 110.941 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 84' ' ' LEU . 18.6 tt -59.02 -45.7 92.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.805 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -60.19 -45.28 93.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.047 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.65 -23.25 66.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.228 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.64 -33.71 55.22 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.52 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.617 ' O ' HD22 ' A' ' 88' ' ' LEU . 22.1 p-80 -168.98 70.04 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.904 0.383 . . . . 0.0 111.329 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.617 HD22 ' O ' ' A' ' 87' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.87 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.5 p90 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.58 ' C ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -59.25 117.3 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.553 ' N ' HD13 ' A' ' 3' ' ' ILE . . . -78.22 123.83 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.4 p -88.75 107.06 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 6' ' ' LEU . 2.5 mm? -95.59 116.98 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -113.15 90.77 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.658 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.55 173.76 54.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.045 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.718 HG12 HG23 ' A' ' 11' ' ' THR . 12.8 tt -159.88 135.1 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.975 0.417 . . . . 0.0 111.492 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 16' ' ' PRO . 3.0 m-85 -117.8 77.69 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.305 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.738 ' C ' HD23 ' A' ' 12' ' ' LEU . 66.3 p -79.68 134.83 36.43 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.305 0.574 . . . . 0.0 111.209 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.738 HD23 ' C ' ' A' ' 11' ' ' THR . 1.2 pt? 46.52 -174.69 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.159 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.714 ' CD ' HD23 ' A' ' 34' ' ' LEU . 7.2 mtmp? -89.07 -7.13 56.44 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.834 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.634 ' HB3' HD11 ' A' ' 12' ' ' LEU . 6.9 t70 -88.2 -19.67 26.58 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.829 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -102.43 40.68 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.526 ' CD ' ' C ' ' A' ' 14' ' ' ASP . 83.5 Cg_endo -79.7 54.95 5.43 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.866 1.71 . . . . 0.0 112.666 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 35.3 tt0 56.77 -84.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -137.61 -30.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.685 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.525 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -170.18 -92.21 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.304 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.99 104.08 0.36 Allowed Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.97 125.55 4.78 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.596 2.198 . . . . 0.0 112.216 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -91.9 -13.0 31.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.273 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.46 HG11 ' HB ' ' A' ' 40' ' ' ILE . 27.6 m -100.26 -13.57 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.89 -35.94 25.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.674 0.273 . . . . 0.0 111.292 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CD2' HD22 ' A' ' 29' ' ' LEU . 7.8 p90 -58.66 -42.57 88.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.352 . . . . 0.0 110.699 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -25.29 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.445 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.808 ' HB1' ' HA ' ' A' ' 34' ' ' LEU . . . -75.01 -22.41 58.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.275 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.94 16.68 7.74 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.084 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.503 HD22 ' CD2' ' A' ' 25' ' ' TYR . 1.3 mp -100.18 36.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.91 0.355 . . . . 0.0 111.276 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -176.0 43.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.984 0.421 . . . . 0.0 111.113 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.31 32.64 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.362 0.601 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -100.47 149.8 23.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -76.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.51 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.808 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . 1.9 tp -170.15 -167.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.377 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.402 ' HB2' ' HG2' ' A' ' 13' ' ' LYS . 17.7 m -90.36 44.58 1.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.452 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -57.93 -32.2 67.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.236 0.541 . . . . 0.0 109.9 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.88 16.28 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.392 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.826 ' OD2' HD11 ' A' ' 40' ' ' ILE . 34.5 t0 -80.82 142.96 33.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.074 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HG3' HG22 ' A' ' 11' ' ' THR . 6.2 tt0 -123.06 105.74 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.706 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.826 HD11 ' OD2' ' A' ' 38' ' ' ASP . 10.1 mm -111.26 149.24 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.93 149.74 34.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.375 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.672 ' N ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -134.76 114.66 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.984 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.76 HG21 ' CA ' ' A' ' 73' ' ' GLY . 24.6 mm -99.13 114.44 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 45' ' ' ILE . 16.1 p -98.98 130.78 45.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -157.54 43.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.753 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? 65.8 -74.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.059 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.51 -88.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.281 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.556 ' O ' ' HB3' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -117.38 -33.03 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.559 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.556 ' HB3' ' O ' ' A' ' 48' ' ' THR . 2.0 pm0 161.89 33.27 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.717 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 49' ' ' GLN . 7.5 p 177.8 -159.06 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.713 0.292 . . . . 0.0 110.601 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 22.5 p30 -121.14 -173.26 2.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.51 ' NE2' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -134.14 145.19 49.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.74 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 42' ' ' ILE . 14.9 t -97.91 157.38 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.328 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 84' ' ' LEU . 3.9 mt -169.97 148.59 3.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.773 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.592 ' HB3' HD21 ' A' ' 88' ' ' LEU . 53.8 t80 -70.1 156.79 38.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.601 HD11 HD21 ' A' ' 69' ' ' LEU . 1.2 mm? -126.95 136.46 52.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . 0.44 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -98.74 159.35 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.85 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t -111.84 129.82 56.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.027 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.704 ' O ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 176.8 98.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -37.76 -62.14 0.57 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.914 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.849 ' O ' HG22 ' A' ' 62' ' ' VAL . 14.0 p -70.97 -153.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 61' ' ' SER . 1.0 OUTLIER 82.57 -39.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.293 0.637 . . . . 0.0 112.604 179.677 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 68.52 -46.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.847 0.356 . . . . 0.0 111.34 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.641 ' HG2' HG23 ' A' ' 62' ' ' VAL . 3.7 pt-20 -48.23 -24.99 1.33 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.615 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 59' ' ' TYR . 6.3 mt -33.34 -65.05 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.053 0.454 . . . . 0.0 111.135 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -33.6 44.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -54.54 -37.88 65.94 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.039 0.447 . . . . 0.0 110.737 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -49.15 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.699 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.601 HD21 HD11 ' A' ' 56' ' ' LEU . 9.3 mp -59.07 -45.05 91.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -31.94 70.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.178 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 5.5 tt0 -69.44 -47.06 65.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.472 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.4 7.01 27.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.43 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.76 ' CA ' HG21 ' A' ' 43' ' ' ILE . . . -92.23 -53.11 2.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.824 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 45' ' ' ILE . . . -154.55 28.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.577 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -85.9 -151.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.603 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.489 ' H ' HD13 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -36.71 -83.56 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 174.42 -179.96 0.11 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.904 0.383 . . . . 0.0 111.212 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -111.67 67.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 m -94.37 -67.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.74 -54.05 18.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 81' ' ' LEU . 10.8 mt 61.92 24.41 14.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.81 -45.28 86.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 84' ' ' LEU . 2.5 pp -56.46 -37.11 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.998 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.585 ' CD1' HD21 ' A' ' 54' ' ' LEU . 6.7 tt -65.77 -32.44 73.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.45 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -71.64 -29.95 65.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.718 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.82 -28.83 17.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.344 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -33.63 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' A' ' 55' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.628 0.251 . . . . 0.0 110.983 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 3' ' ' ILE . 3.5 mp 47.71 90.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.813 0.34 . . . . 0.0 111.258 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.01 81.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.615 HG21 ' HB2' ' A' ' 74' ' ' ALA . 41.1 p -70.15 112.83 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.455 ' C ' HD13 ' A' ' 6' ' ' LEU . 2.0 tm? -73.95 77.28 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -99.94 109.89 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.752 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -118.57 156.87 15.48 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.537 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 10' ' ' PHE . 23.2 mt -97.57 157.97 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 0.0 111.148 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.67 ' HA ' HD21 ' A' ' 15' ' ' LEU . 4.4 m-85 -144.02 53.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.55 ' O ' HD12 ' A' ' 15' ' ' LEU . 10.1 t -83.89 124.92 31.49 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.752 0.787 . . . . 0.0 111.427 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.836 ' O ' HD12 ' A' ' 15' ' ' LEU . 6.3 mp 56.09 160.1 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.685 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -74.96 5.88 4.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.533 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.539 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -87.76 -25.48 23.39 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.303 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -101.01 34.11 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.539 ' CD ' ' C ' ' A' ' 14' ' ' ASP . 84.3 Cg_exo -45.27 83.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.154 1.902 . . . . 0.0 113.034 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' LEU . 3.3 tt0 12.39 -79.07 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.576 0.75 . . . . 0.0 112.896 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 3.8 tp10 -99.77 -46.62 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.051 0.453 . . . . 0.0 111.419 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 40.9 m-85 -170.25 -60.27 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.444 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -138.47 74.86 39.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.888 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.424 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 76.1 Cg_exo -50.93 -171.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.167 2.578 . . . . 0.0 113.87 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -92.9 -31.88 14.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.962 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.498 ' CG2' ' CE2' ' A' ' 10' ' ' PHE . 21.4 m -67.51 -10.35 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.5 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -47.72 -28.83 2.66 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.787 0.327 . . . . 0.0 110.696 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -59.85 -34.81 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.105 0.478 . . . . 0.0 109.936 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 26.6 tttp -58.82 -33.54 70.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.34 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.78 -26.26 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.285 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.06 26.43 6.76 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.067 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.6 ' HG ' ' HA ' ' A' ' 26' ' ' LYS . 16.1 mt -37.65 -71.04 0.08 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.153 0.501 . . . . 0.0 112.101 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 13.3 tp10 -177.54 94.76 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.678 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 30' ' ' GLU . 3.7 ttpt 82.45 40.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -173.24 2.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.456 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.58 112.92 19.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.89 0.376 . . . . 0.0 110.781 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -92.4 46.88 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 p -100.17 30.34 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.78 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 70.34 11.84 7.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.18 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -88.2 12.25 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.496 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.649 ' CG ' HD11 ' A' ' 40' ' ' ILE . 15.5 t0 -80.72 113.31 18.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.76 0.314 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' C ' HD12 ' A' ' 40' ' ' ILE . 3.0 mp0 -113.43 118.43 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.724 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.649 HD11 ' CG ' ' A' ' 38' ' ' ASP . 1.5 mp -145.71 165.93 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.19 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -137.55 116.43 12.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.628 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.463 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 1.2 tp -86.9 142.64 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 111.316 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.56 HG21 ' HA2' ' A' ' 73' ' ' GLY . 24.1 mt -145.99 142.11 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 6.4 t -155.8 146.81 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.661 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.896 HD12 ' HB2' ' A' ' 51' ' ' ASN . 3.1 mp -121.15 -81.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.184 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.9 41.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 111.004 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.56 14.31 63.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.742 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 p 64.15 12.47 7.07 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.546 0.212 . . . . 0.0 111.404 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -157.13 27.69 0.3 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.66 0.267 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.05 169.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.499 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.896 ' HB2' HD12 ' A' ' 45' ' ' ILE . 31.4 t30 -91.44 -94.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 51' ' ' ASN . 9.1 m80 -154.18 -170.94 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.358 . . . . 0.0 111.137 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.7 p -154.22 136.74 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.3 mt -129.75 150.31 51.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.075 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 3.0 p90 -90.94 121.51 32.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 1.9 mm? -62.28 114.03 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.3 p -100.07 -165.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.813 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -96.98 84.79 3.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -75.94 -176.54 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -98.53 -67.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -123.35 -176.27 3.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.989 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.58 33.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -109.09 -54.55 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.35 -33.52 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.34 -31.35 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -65.71 -60.47 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -59.98 -30.82 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.87 -55.35 13.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.54 -52.32 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -53.45 -43.96 68.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.71 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 4.1 tt0 -66.67 -37.15 84.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.649 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.507 ' HB1' ' CE1' ' A' ' 78' ' ' HIS . . . -84.5 3.44 36.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.337 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.56 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -92.26 -59.93 1.27 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.531 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 5' ' ' THR . . . -129.13 -1.99 5.13 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -100.19 -170.5 1.88 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.821 0.343 . . . . 0.0 111.122 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -76.49 -165.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 77.83 88.47 0.07 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.507 ' CE1' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -178.52 -178.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.804 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.559 ' C ' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER 61.33 171.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.944 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.559 HG23 ' C ' ' A' ' 79' ' ' THR . 1.6 p 81.12 -22.29 0.28 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.755 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.9 mt 61.02 18.0 8.51 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.684 0.278 . . . . 0.0 111.377 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -81.72 -52.59 7.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.783 0.325 . . . . 0.0 110.727 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.432 HG13 HD12 ' A' ' 84' ' ' LEU . 23.9 pt -59.17 -34.63 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.62 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.432 HD12 HG13 ' A' ' 83' ' ' ILE . 1.2 mp -70.71 -34.38 71.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.136 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.98 -30.17 63.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.561 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.63 -26.05 16.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -101.48 -56.49 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 110.8 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.696 0.284 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 mm -107.59 133.14 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.61 54.92 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.91 105.78 3.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.74 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.413 ' HA ' HD13 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -96.46 123.28 40.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.967 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.735 ' HA ' HG22 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -120.03 97.6 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.83 122.5 5.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.527 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.1 tt -100.83 118.83 48.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.945 0.402 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.935 ' CD1' HD13 ' A' ' 42' ' ' ILE . 7.1 m-85 -71.61 149.75 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.189 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.797 ' OG1' HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -123.8 127.55 48.25 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.448 0.642 . . . . 0.0 111.044 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.515 HD12 ' HB ' ' A' ' 11' ' ' THR . 0.3 OUTLIER 51.33 -170.01 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.189 -179.5 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HD2' ' HB1' ' A' ' 27' ' ' ALA . 3.3 mmtp -100.31 -7.16 24.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.037 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.548 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.9 p30 -100.42 -21.68 15.3 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.797 HD23 ' OG1' ' A' ' 11' ' ' THR . 33.4 tp -101.82 74.19 0.14 Allowed Pre-proline 0 CA--C 1.533 0.309 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 74.2 Cg_endo -82.0 50.46 3.47 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.313 2.009 . . . . 0.0 112.277 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.705 ' OE2' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -60.63 90.36 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.413 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -179.99 -44.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.729 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -170.43 -75.94 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -153.13 165.45 17.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.343 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 20' ' ' ARG . 34.6 Cg_endo -65.18 67.97 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.371 2.047 . . . . 0.0 112.335 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' ARG . 82.2 t80 -79.97 -66.31 0.89 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG22 ' HG2' ' A' ' 26' ' ' LYS . 12.8 p -54.56 -17.73 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.543 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.3 -29.14 0.95 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.344 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.496 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 6.0 p90 -62.78 -34.26 76.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.771 0.32 . . . . 0.0 110.732 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.756 ' NZ ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -67.39 -30.47 70.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.193 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 13' ' ' LYS . . . -73.35 -18.97 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.819 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.19 29.15 3.09 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.004 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.8 tp -47.13 -28.76 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.72 93.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.73 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.22 44.62 9.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.518 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -100.12 135.08 42.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.623 179.446 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.28 109.41 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.026 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -120.27 97.84 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.793 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.87 -82.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 174.99 84.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -170.22 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.68 154.62 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.8 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.544 ' O ' HD13 ' A' ' 40' ' ' ILE . 8.9 mt-10 -133.01 154.6 50.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.748 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.756 HD12 ' NZ ' ' A' ' 26' ' ' LYS . 5.9 mm -122.73 153.58 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.847 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . . . -115.86 113.56 23.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.935 HD13 ' CD1' ' A' ' 10' ' ' PHE . 3.3 mp -122.13 113.82 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.735 HG22 ' HA ' ' A' ' 7' ' ' LYS . 15.1 pt -128.35 135.05 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -106.92 149.67 27.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.77 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.4 pt -146.22 41.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.253 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.61 21.96 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.64 78.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.226 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.9 m 69.54 -66.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.644 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 176.73 59.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.792 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.38 -175.23 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.66 ' OD1' HG23 ' A' ' 42' ' ' ILE . 13.8 p30 -134.88 -179.18 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -109.3 152.49 25.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -126.38 143.07 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.582 HD21 HD12 ' A' ' 84' ' ' LEU . 8.3 mt -154.99 142.32 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.423 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 2.4 t80 -74.69 118.24 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.847 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 1.3 mm? -61.72 102.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 m -100.06 30.64 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.736 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 m -57.71 171.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.513 ' CD2' HD11 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -119.45 -55.33 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -149.5 -74.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.775 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.48 92.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.479 HG23 HG12 ' A' ' 65' ' ' ILE . 4.8 m -149.87 169.16 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.36 -31.38 70.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.6 -29.91 69.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.513 HD11 ' CD2' ' A' ' 59' ' ' TYR . 28.2 mm -72.22 -62.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.226 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.67 -33.34 70.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -60.7 -31.05 70.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.769 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.12 -50.3 35.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -66.08 -55.62 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -34.35 36.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.514 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 17.1 mt-10 -60.72 -41.21 94.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.45 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.91 -22.14 33.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.227 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.537 ' HA2' HD12 ' A' ' 43' ' ' ILE . . . -56.09 -59.1 11.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.581 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.73 39.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.381 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.03 -73.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.29 0.567 . . . . 0.0 111.076 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.6 pt -95.26 39.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.639 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.0 m120 69.41 -63.93 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.426 ' ND1' HD11 ' A' ' 83' ' ' ILE . 85.5 t60 65.93 77.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -164.04 33.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.581 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -133.37 3.87 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.747 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 54.3 26.19 6.63 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.713 0.292 . . . . 0.0 111.214 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -81.9 -65.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.426 HD11 ' ND1' ' A' ' 78' ' ' HIS . 2.5 pt -54.7 -29.24 20.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.582 HD12 HD21 ' A' ' 54' ' ' LEU . 8.3 tt -76.41 -32.43 58.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.169 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.16 -24.72 51.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.481 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.6 -24.44 25.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.397 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.533 ' HB3' HD22 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -101.4 -61.86 1.32 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.932 0.396 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 87' ' ' HIS . 3.3 mm? . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.633 ' CD2' HG22 ' A' ' 3' ' ' ILE . 2.0 p90 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.918 0.389 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.633 HG22 ' CD2' ' A' ' 2' ' ' PHE . 10.7 tt -177.79 153.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.05 107.38 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p -141.87 101.08 3.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 6' ' ' LEU . 3.4 mp -121.85 157.0 32.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.743 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.535 ' HG3' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -141.13 133.39 28.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.479 ' O ' HD13 ' A' ' 9' ' ' ILE . . . -119.82 162.21 14.05 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.542 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.498 HG22 HG23 ' A' ' 11' ' ' THR . 26.7 mm -129.79 137.19 57.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.832 0.348 . . . . 0.0 111.066 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 16' ' ' PRO . 4.2 m-85 -119.04 65.89 0.78 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.54 ' CB ' HD22 ' A' ' 12' ' ' LEU . 22.5 p -70.69 153.84 42.43 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.715 ' O ' ' C ' ' A' ' 13' ' ' LYS . 1.2 mm? 55.21 150.21 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.322 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.715 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -7.55 83.95 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.3 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 12' ' ' LEU . 39.1 p-10 -5.07 71.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.951 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 13' ' ' LYS . 52.0 tp -54.61 112.35 3.9 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.207 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HG3' ' N ' ' A' ' 21' ' ' PRO . 91.1 Cg_endo -78.81 78.9 3.53 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.557 2.171 . . . . 0.0 112.173 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -48.5 -27.82 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 4.5 tp10 -58.73 -61.61 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.48 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 23.2 m-85 -167.01 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.508 ' HB2' ' HD2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -113.6 160.26 32.45 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.765 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD2' ' HB2' ' A' ' 20' ' ' ARG . 4.6 Cg_endo -46.65 103.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.876 2.384 . . . . 0.0 112.734 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -95.12 -50.04 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 23' ' ' VAL . 21.1 t -81.4 -7.24 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.46 -27.17 9.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.904 0.383 . . . . 0.0 110.593 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -61.51 -37.9 85.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.297 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.654 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -68.65 -27.91 66.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.976 179.054 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -73.26 -20.24 60.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.544 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.9 33.71 2.16 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.297 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -53.12 -24.24 9.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.778 0.323 . . . . 0.0 111.501 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.64 81.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.11 43.35 20.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.53 -8.45 38.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.814 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tptm 67.06 148.85 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.805 0.336 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -113.44 97.5 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.25 138.5 37.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.169 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.46 -5.74 48.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.042 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -92.55 14.12 17.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.762 0.315 . . . . 0.0 110.991 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.81 168.11 18.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.908 0.385 . . . . 0.0 111.028 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -159.93 117.31 2.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.7 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG23 ' HA ' ' A' ' 55' ' ' PHE . 29.5 mt -125.63 153.82 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.29 151.58 49.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -137.83 127.96 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.535 HG23 ' HG3' ' A' ' 7' ' ' LYS . 3.9 mp -105.57 113.66 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.477 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -79.64 132.22 36.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.3 mt -152.51 152.56 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.792 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -50.73 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.64 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.08 20.33 3.19 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.856 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 44.87 30.47 0.56 Allowed 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.754 0.312 . . . . 0.0 111.109 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.94 -63.34 0.47 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.579 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.45 -69.37 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.161 0.505 . . . . 0.0 110.645 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.477 ' CB ' ' HA ' ' A' ' 44' ' ' SER . 4.7 p-10 -179.3 -169.88 0.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.192 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.426 ' CE1' ' HB ' ' A' ' 43' ' ' ILE . 48.3 p-80 -141.0 149.07 41.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.751 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.56 HG23 HG22 ' A' ' 42' ' ' ILE . 13.3 p -111.25 158.24 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.395 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.905 HD22 HD11 ' A' ' 88' ' ' LEU . 9.7 mt -154.89 127.88 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' HA ' HG23 ' A' ' 40' ' ' ILE . 51.2 t80 -70.18 144.95 51.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.59 HD11 HD11 ' A' ' 69' ' ' LEU . 3.0 mp -122.31 131.61 53.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -59.33 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -156.39 22.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.281 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' SER . 3.6 t80 54.15 -82.52 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' SER . 0.1 OUTLIER 60.77 -79.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.802 0.334 . . . . 0.0 111.334 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -55.25 168.17 0.38 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.263 -179.701 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.0 m -146.44 169.51 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 66.74 -70.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.59 -45.43 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.82 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.82 ' O ' HD13 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -70.65 -37.92 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.02 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -38.45 83.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -77.7 -30.78 51.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.6 -50.51 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.59 HD11 HD11 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -63.06 -61.68 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 -179.773 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -49.77 -28.71 6.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 26.7 tt0 -69.63 -44.06 71.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.601 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.89 -0.91 32.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.541 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.1 -74.61 1.28 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.658 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.1 -3.11 23.48 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -99.98 -154.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.695 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.2 mt -41.54 139.45 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.929 0.395 . . . . 0.0 111.469 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -54.34 -178.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.623 ' O ' HG22 ' A' ' 79' ' ' THR . 12.7 m-70 -82.7 -14.46 54.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 78' ' ' HIS . 0.5 OUTLIER 75.92 -174.75 0.11 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 120.731 0.301 . . . . 0.0 110.932 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.76 HG23 ' HG2' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -51.12 171.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.076 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.71 -17.83 59.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.606 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.76 ' HG2' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -54.36 -30.36 51.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.78 0.324 . . . . 0.0 111.015 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 80' ' ' THR . 12.7 tt -59.79 -44.93 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.835 HD12 ' HG ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -58.98 -41.0 86.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.18 179.461 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.92 -26.8 68.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.111 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -78.61 -49.65 6.5 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.389 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 p80 179.58 77.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.905 HD11 HD22 ' A' ' 54' ' ' LEU . 1.8 tm? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.738 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.836 0.35 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.2 tt -102.8 100.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.39 135.44 51.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.8 p -101.67 166.16 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 43' ' ' ILE . 2.5 mp -94.86 118.17 31.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -113.49 115.55 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.75 101.17 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.216 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.05 76.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 111.446 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 8.9 m-85 -72.61 127.38 32.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.116 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 12' ' ' LEU . 23.1 p -147.51 162.86 38.2 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.34 0.591 . . . . 0.0 111.685 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 11' ' ' THR . 8.1 mp 53.83 159.27 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.602 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -56.26 -19.26 13.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 179.081 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.482 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 2.6 p30 -89.3 11.1 19.94 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.907 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -44.85 -33.67 1.49 Allowed Pre-proline 0 CA--C 1.537 0.454 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 20.4 Cg_exo -68.87 53.58 0.8 Allowed 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.037 1.824 . . . . 0.0 112.627 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.4 75.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.153 0.501 . . . . 0.0 111.179 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER 165.36 -55.59 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.547 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -170.94 -69.47 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.38 102.68 0.28 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.821 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.445 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 57.2 Cg_endo -71.38 -166.5 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.48 2.12 . . . . 0.0 112.534 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -81.35 -43.85 18.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.004 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.715 HG21 HG21 ' A' ' 40' ' ' ILE . 10.4 p -56.13 -18.28 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.823 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.2 -53.59 10.27 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 4.5 p90 -54.78 -29.06 53.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.478 ' NZ ' HG23 ' A' ' 23' ' ' VAL . 4.4 ttpm? -72.0 -22.55 61.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.499 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.12 -27.23 59.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.96 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.84 32.82 1.99 Allowed Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.972 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.706 HD22 ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.63 -22.97 25.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.689 0.28 . . . . 0.0 111.354 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.706 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER 177.98 42.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.597 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.78 42.54 26.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.596 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.447 ' CB ' HD11 ' A' ' 29' ' ' LEU . 6.3 tttm -76.18 -65.5 0.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.917 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.66 141.74 26.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.0 mm? -101.3 162.78 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.286 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -87.08 -94.49 0.09 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.711 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.3 -71.35 0.05 OUTLIER 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.037 0.446 . . . . 0.0 110.128 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' SER . 30.2 t70 -114.68 3.01 14.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.466 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.493 ' CB ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t70 -81.72 -173.17 4.28 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.547 ' O ' HD13 ' A' ' 40' ' ' ILE . 16.2 mt-10 -159.96 153.0 21.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.715 HG21 HG21 ' A' ' 23' ' ' VAL . 26.2 mm -136.14 132.06 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 1.097 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -118.19 115.66 25.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.452 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.509 HG12 HG13 ' A' ' 53' ' ' VAL . 4.0 mt -132.48 137.31 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.545 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 6' ' ' LEU . 3.5 mp -139.7 139.75 37.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.834 0.349 . . . . 0.0 111.601 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.57 131.1 39.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.691 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.925 HD12 ' O ' ' A' ' 73' ' ' GLY . 2.7 mm -86.99 -66.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.186 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.9 -24.21 15.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.212 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.82 -62.0 3.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 t -74.99 -27.96 60.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.804 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -88.96 -61.58 1.67 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.7 p -177.07 173.77 1.78 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.921 0.391 . . . . 0.0 111.29 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -136.89 -172.82 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.682 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -133.27 143.84 49.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.509 HG13 HG12 ' A' ' 42' ' ' ILE . 40.4 t -108.02 133.78 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.53 132.59 46.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.089 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -93.98 132.98 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.597 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 1.097 HD11 ' HB2' ' A' ' 41' ' ' ALA . 68.5 mt -111.54 79.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -27.32 67.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.641 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -152.32 -63.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.713 ' CE2' HD13 ' A' ' 65' ' ' ILE . 29.5 t80 51.72 86.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.224 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -100.28 124.48 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m -48.49 121.62 4.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.619 ' O ' HG22 ' A' ' 62' ' ' VAL . 14.4 p -166.5 29.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.281 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 70.62 -57.61 0.58 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.3 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.76 -37.26 68.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.795 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.713 HD13 ' CE2' ' A' ' 59' ' ' TYR . 1.8 pp -64.68 -36.32 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -69.83 -52.24 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.596 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -55.88 -29.19 59.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.09 -46.57 77.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.5 -64.79 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -47.71 -33.22 6.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.949 0.404 . . . . 0.0 110.77 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 11.4 mt-10 -63.74 -42.24 97.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.254 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.04 6.74 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.297 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.925 ' O ' HD12 ' A' ' 45' ' ' ILE . . . -89.69 -48.75 3.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.16 33.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 111.665 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 7.5 mmtp -100.04 158.4 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.4 pt -68.26 70.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.054 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -179.23 -170.08 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 61.09 91.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 110.64 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 80' ' ' THR . 10.0 t -177.57 -171.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.564 HG23 ' HB2' ' A' ' 82' ' ' LYS . 15.0 t 45.67 27.72 0.46 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.654 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.783 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER 48.47 26.3 1.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.588 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.564 ' HB2' HG23 ' A' ' 80' ' ' THR . 0.9 OUTLIER -80.34 -58.82 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.822 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 pp -54.48 -25.06 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.808 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.783 HD13 ' HA ' ' A' ' 81' ' ' LEU . 4.6 mp -73.01 -45.18 59.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.254 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 7.3 pt-20 -72.83 -13.18 61.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.41 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.89 -26.58 14.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.669 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -165.35 60.68 0.12 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.836 0.35 . . . . 0.0 111.383 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.0 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.786 0.327 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.8 tp -59.35 108.46 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.74 118.65 5.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -129.67 78.46 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.28 123.15 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.11 76.56 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.733 ' O ' HD13 ' A' ' 9' ' ' ILE . . . -82.05 164.56 44.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.374 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.733 HD13 ' O ' ' A' ' 8' ' ' GLY . 26.3 mm -139.68 102.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 111.325 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CZ ' ' HA ' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -69.98 120.4 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.568 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.473 ' O ' ' O ' ' A' ' 12' ' ' LEU . 9.5 t -131.2 113.88 14.4 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.195 0.521 . . . . 0.0 111.53 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER 56.46 142.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.27 179.641 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -26.45 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.474 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.46 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 36.2 t70 -53.97 -42.57 69.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.225 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.11 103.08 20.44 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 82.5 Cg_endo -91.6 39.29 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.822 2.348 . . . . 0.0 112.674 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 1.0 OUTLIER 29.42 36.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.634 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 6.6 tp10 167.48 -70.39 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.256 0.55 . . . . 0.0 110.638 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' O ' ' HG3' ' A' ' 16' ' ' PRO . 12.3 t80 -169.4 -53.07 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.956 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpt85 -106.07 134.59 19.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 19.5 Cg_endo -61.07 105.04 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.557 2.172 . . . . 0.0 112.413 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -93.16 -21.92 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 23' ' ' VAL . 29.8 t -100.28 10.35 7.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.423 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 21' ' ' PRO . 13.7 t70 -84.1 -22.15 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.519 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -70.21 -36.95 74.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HE3' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -72.06 -27.32 62.61 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.359 179.522 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.08 -26.78 59.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.04 24.26 6.01 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.517 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.425 ' O ' HD13 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -65.08 -15.27 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 111.545 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 1.2 mt-10 -137.38 50.71 1.96 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 10.4 ptmm? 48.18 41.01 15.05 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.287 0.565 . . . . 0.0 110.652 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -92.92 17.0 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.279 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.724 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER 45.59 -168.43 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.852 0.358 . . . . 0.0 111.42 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.724 HD13 ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -126.28 130.41 50.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -174.29 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -102.98 -20.88 14.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -97.23 23.28 7.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.058 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.49 98.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.802 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 40' ' ' ILE . 5.4 mm-40 -113.57 135.15 54.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 54' ' ' LEU . 4.1 mp -141.09 137.19 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.42 118.6 37.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.8 mt -101.92 113.69 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.402 HG21 ' HA3' ' A' ' 73' ' ' GLY . 11.1 mm -118.8 110.04 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.057 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.3 p -119.23 145.03 46.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.72 HD11 ' O ' ' A' ' 73' ' ' GLY . 13.5 mt -132.35 33.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.79 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.9 27.88 15.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.608 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 t -164.91 -44.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.82 -37.37 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.788 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.0 81.9 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -125.7 119.94 29.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -135.46 148.95 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 53' ' ' VAL . 10.7 p -147.87 122.32 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 40' ' ' ILE . 5.3 mt -103.51 172.92 6.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.989 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -124.95 118.24 25.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.98 122.39 45.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.723 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -98.62 -56.33 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.2 t -103.96 -77.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CZ ' HD12 ' A' ' 65' ' ' ILE . 3.1 t80 60.88 69.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -107.97 -21.63 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -54.9 -174.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.6 HG22 ' OE2' ' A' ' 64' ' ' GLU . 12.5 m -113.81 -148.04 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.536 ' N ' HG23 ' A' ' 62' ' ' VAL . 4.2 m-20 -46.73 -27.35 1.16 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.748 0.309 . . . . 0.0 111.537 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.6 ' OE2' HG22 ' A' ' 62' ' ' VAL . 3.1 pt-20 -52.31 -27.5 15.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.61 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.452 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 43.5 pt -109.48 -7.1 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.445 ' HB2' ' HA ' ' A' ' 63' ' ' ASP . 11.8 mtp85 -78.93 -57.97 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.909 0.385 . . . . 0.0 111.172 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -58.77 -39.71 81.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.389 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 20.8 pt-20 -62.85 -43.93 97.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.014 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 31.8 tp -73.35 -49.61 26.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.79 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.83 -49.48 65.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.8 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.99 -33.73 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.613 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 68' ' ' GLU . . . -53.3 -26.38 18.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.036 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.72 ' O ' HD11 ' A' ' 45' ' ' ILE . . . -93.98 -30.83 8.54 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.514 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.36 34.97 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 111.451 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.04 -178.76 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.401 . . . . 0.0 111.031 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.3 pt -97.19 150.73 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 77.28 -55.17 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.97 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 69.08 11.28 8.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.685 HG21 HG23 ' A' ' 83' ' ' ILE . 0.2 OUTLIER 43.84 -163.23 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.328 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 80' ' ' THR . 9.8 t -170.85 97.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 80' ' ' THR . 0.7 OUTLIER 81.79 -44.01 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.617 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -52.95 -60.24 3.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.677 0.275 . . . . 0.0 111.29 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.685 HG23 HG21 ' A' ' 79' ' ' THR . 1.8 pp -52.81 -29.82 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -45.2 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.274 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 19.9 pt-20 -72.81 -19.95 61.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.424 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.22 -28.74 10.33 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.319 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -179.09 74.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.74 0.305 . . . . 0.0 111.251 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.679 ' OXT' HD22 ' A' ' 88' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.482 ' O ' HG22 ' A' ' 3' ' ' ILE . 38.6 p90 . . . . . 0 N--CA 1.463 0.222 0 CA-C-O 120.905 0.383 . . . . 0.0 111.474 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 2' ' ' PHE . 0.5 OUTLIER 70.75 138.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.437 ' H ' HD13 ' A' ' 3' ' ' ILE . . . -97.89 119.62 36.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.432 HG23 HG23 ' A' ' 3' ' ' ILE . 26.9 p -131.36 94.01 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 6' ' ' LEU . 9.7 mt -116.44 152.84 33.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.071 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HB3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -143.26 160.39 40.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.742 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.35 110.74 0.88 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.64 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 9' ' ' ILE . 18.4 tt -81.97 79.73 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.078 0.466 . . . . 0.0 110.934 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.698 ' CD1' HD11 ' A' ' 42' ' ' ILE . 21.7 m-85 -76.57 143.65 40.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.741 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 12' ' ' LEU . 9.3 t -159.9 155.91 26.4 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.298 0.57 . . . . 0.0 111.512 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER 57.2 158.0 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.287 -179.46 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -54.43 -22.26 12.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.659 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.616 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 14.2 t70 -84.92 3.96 35.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.658 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 2.4 pt? -41.56 -40.21 2.95 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 12.4 Cg_endo -54.73 71.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.07 1.847 . . . . 0.0 112.914 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.86 67.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.784 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -46.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -170.74 -86.84 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.758 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.28 150.4 43.0 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.839 0.352 . . . . 0.0 111.219 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 63.5 Cg_endo -73.34 123.65 8.87 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.863 2.375 . . . . 0.0 112.918 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -79.55 -39.05 32.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.296 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG2' HD11 ' A' ' 15' ' ' LEU . 25.9 m -74.3 -8.58 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.026 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -48.35 -31.03 5.53 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.652 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -58.83 -35.68 73.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.13 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -65.64 -28.73 69.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.883 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 33' ' ' LYS . . . -68.47 -27.4 66.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.818 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.67 24.57 5.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 29' ' ' LEU . 14.2 tp -79.83 -7.41 58.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -162.32 43.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.949 0.404 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 57.7 43.73 21.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.845 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -95.71 -12.86 24.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.224 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 8.1 mtmm 65.31 -175.65 0.18 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.904 0.383 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -103.15 116.84 33.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.935 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.06 124.53 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.43 -16.79 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.17 24.31 8.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.07 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.3 160.6 26.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -160.99 119.73 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 41' ' ' ALA . 18.4 mt -150.48 160.32 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -146.75 144.25 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.698 HD11 ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -123.54 131.54 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.009 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.638 HG21 ' HA3' ' A' ' 73' ' ' GLY . 13.7 mm -117.04 116.17 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.274 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.492 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 54.5 p -93.99 140.97 29.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 22.3 pt -150.84 33.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER 42.05 37.26 0.81 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.658 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.24 51.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.005 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.2 p 40.77 32.16 0.15 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.83 0.348 . . . . 0.0 111.242 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 50' ' ' SER . 17.7 mm100 -147.8 -76.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.316 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 4.8 t 149.63 75.3 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.962 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' HA ' ' A' ' 44' ' ' SER . 3.1 p-10 47.01 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.501 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -151.22 136.7 17.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.654 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.455 ' HA ' HG22 ' A' ' 42' ' ' ILE . 26.2 t -69.92 136.67 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.21 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.18 106.96 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.659 ' HB3' HD21 ' A' ' 88' ' ' LEU . 17.1 t80 -74.48 130.63 39.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.621 HD21 HD13 ' A' ' 69' ' ' LEU . 3.6 mt -109.01 113.12 25.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 t -74.19 -67.89 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -124.5 166.82 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.448 ' CE2' HG12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -167.97 88.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.01 27.53 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 m 57.08 43.26 24.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.734 ' CG2' HG23 ' A' ' 65' ' ' ILE . 28.0 m -88.34 21.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 68.31 -61.87 0.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.796 0.331 . . . . 0.0 111.351 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -47.27 -34.6 6.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.734 HG23 ' CG2' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -70.66 -23.99 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.63 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -77.95 -70.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.374 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -31.01 30.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.347 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 30.0 tp10 -65.34 -51.72 58.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.017 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.621 HD13 HD21 ' A' ' 56' ' ' LEU . 8.8 tp -69.84 -45.56 67.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.091 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.94 -47.09 74.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -78.1 -34.85 49.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 68' ' ' GLU . . . -57.05 -24.43 53.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.2 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.638 ' HA3' HG21 ' A' ' 43' ' ' ILE . . . -90.39 -43.44 4.92 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.663 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.82 32.67 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.279 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.16 157.97 36.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.504 ' H ' HD13 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -100.18 119.98 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m120 62.8 118.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -89.17 172.38 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 t -108.52 -161.27 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.714 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 t -91.54 45.08 1.21 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.1 tt 55.74 23.06 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.228 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -80.07 -49.76 11.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.49 ' CD1' HD12 ' A' ' 84' ' ' LEU . 2.6 pp -56.97 -31.29 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.49 HD12 ' CD1' ' A' ' 83' ' ' ILE . 4.4 mp -70.74 -43.07 69.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.183 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.1 -24.72 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.606 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.39 -21.88 20.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.625 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -116.47 20.49 14.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.627 0.251 . . . . 0.0 111.248 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 55' ' ' PHE . 3.3 tp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.924 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.562 ' O ' HG22 ' A' ' 3' ' ' ILE . 50.7 t80 . . . . . 0 C--O 1.228 -0.073 0 CA-C-O 120.62 0.248 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 2' ' ' PHE . 1.4 tp 50.4 121.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.986 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.64 103.76 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.938 HG22 HG22 ' A' ' 45' ' ' ILE . 40.0 p -121.14 119.21 31.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.61 137.12 20.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -108.54 120.27 41.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.26 157.96 16.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.591 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.8 mm -132.59 142.94 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 17' ' ' GLU . 1.8 m-85 -115.0 111.78 21.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.445 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.458 ' O ' ' O ' ' A' ' 12' ' ' LEU . 12.4 p -98.8 105.34 17.48 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.105 0.479 . . . . 0.0 111.289 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 11' ' ' THR . 65.0 mt 57.71 137.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.843 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -45.16 -28.1 0.71 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.659 179.571 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.452 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.3 t70 -52.5 -51.59 58.71 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.858 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.661 HD13 ' H ' ' A' ' 17' ' ' GLU . 1.2 tm? -83.87 109.41 18.45 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.382 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.531 ' HD2' HD22 ' A' ' 15' ' ' LEU . 94.2 Cg_endo -93.96 32.26 0.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.757 2.305 . . . . 0.0 113.126 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.661 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER 65.33 -45.29 0.36 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.596 179.466 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.531 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.8 tt0 179.18 -28.89 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -149.64 79.76 1.38 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.059 0.457 . . . . 0.0 111.741 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 61.49 147.16 0.08 OUTLIER Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.377 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -90.36 117.09 0.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.993 2.462 . . . . 0.0 112.607 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.31 -31.98 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.039 0.447 . . . . 0.0 110.339 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.578 HG23 ' HG2' ' A' ' 26' ' ' LYS . 9.4 p -61.34 -18.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.325 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -47.25 -39.3 14.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.561 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.469 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -62.79 -48.64 78.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.524 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.578 ' HG2' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -69.43 -19.0 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.407 179.36 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.17 -25.2 34.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.43 24.71 4.37 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.713 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -21.28 49.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.857 0.36 . . . . 0.0 111.309 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -149.88 44.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 14.9 pttp 48.42 39.89 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.36 0.6 . . . . 0.0 110.77 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -61.76 -69.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.595 ' C ' HD22 ' A' ' 34' ' ' LEU . 8.0 tttp -164.91 -171.9 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.96 0.41 . . . . 0.0 111.235 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.662 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.7 mm? -125.53 -165.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.842 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 37' ' ' ASP . 47.6 t -56.02 -115.3 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.123 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 65.2 -67.84 0.12 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.994 0.426 . . . . 0.0 109.955 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 35' ' ' SER . 2.6 p30 -135.66 14.09 3.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.623 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.51 147.08 54.01 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.847 0.356 . . . . 0.0 111.021 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -164.6 145.61 7.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 55' ' ' PHE . 1.2 tp -146.17 142.33 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 40' ' ' ILE . . . -114.84 117.65 31.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 0.0 111.313 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.622 HG22 ' HA ' ' A' ' 53' ' ' VAL . 1.5 pt -116.3 134.99 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.754 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -134.74 132.27 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 0.0 111.663 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.744 ' O ' HG23 ' A' ' 45' ' ' ILE . 76.5 p -108.6 156.4 19.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.369 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.938 HG22 HG22 ' A' ' 5' ' ' THR . 1.5 pp -168.22 65.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.897 0.379 . . . . 0.0 111.558 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 45.54 30.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.27 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.33 65.79 0.75 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.895 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.18 -63.45 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.743 0.306 . . . . 0.0 110.548 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -179.56 53.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.7 -165.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.401 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 13.1 p30 -149.4 165.37 32.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.781 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -99.69 142.61 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 40' ' ' ILE . 13.0 p -104.38 120.17 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.797 ' HG ' HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -107.86 132.59 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.801 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.802 ' HA ' HD12 ' A' ' 40' ' ' ILE . 44.0 t80 -83.48 148.07 27.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.99 92.96 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.754 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -69.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 p -177.53 61.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -121.28 132.34 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -138.42 27.36 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.736 ' O ' HG12 ' A' ' 62' ' ' VAL . 3.3 m -164.69 -160.24 0.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 61' ' ' SER . 10.0 p 54.53 141.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.157 0.503 . . . . 0.0 111.95 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.22 -27.37 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -26.87 10.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -42.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -70.62 -48.97 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -56.51 -30.74 63.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -75.83 -30.03 58.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.797 HD11 ' HG ' ' A' ' 54' ' ' LEU . 1.8 tp -77.33 -50.25 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -31.24 68.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.12 -28.44 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.72 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.14 -36.91 10.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.02 -64.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.179 0.514 . . . . 0.0 111.183 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -57.84 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 77' ' ' ASN . 31.1 mm -50.19 155.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.266 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.441 ' N ' HG22 ' A' ' 76' ' ' ILE . 55.7 p30 -85.96 -170.22 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.528 ' HA ' HD12 ' A' ' 83' ' ' ILE . 72.5 m80 -52.42 -25.48 10.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.323 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.72 89.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.861 ' O ' HD12 ' A' ' 81' ' ' LEU . 7.0 t 43.91 55.52 5.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.472 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER 44.04 37.04 1.62 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.333 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -78.5 -51.68 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.065 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 78' ' ' HIS . 31.6 mt -54.32 -38.56 40.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 81' ' ' LEU . 5.8 mt -65.58 -41.15 93.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.211 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -72.54 -13.48 61.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -92.19 -31.08 9.35 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.9 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -175.25 66.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.887 0.375 . . . . 0.0 111.579 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.424 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.972 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.907 0.384 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.9 mm -68.13 124.99 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.8 94.89 9.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 p -100.45 95.68 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.444 HD11 ' OG ' ' A' ' 44' ' ' SER . 0.1 OUTLIER -110.51 99.65 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 110.65 21.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.794 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.46 132.43 10.98 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.616 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -92.1 116.24 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.755 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CZ ' HG13 ' A' ' 42' ' ' ILE . 4.2 m-30 -78.63 104.4 9.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.468 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.519 ' O ' ' O ' ' A' ' 12' ' ' LEU . 1.2 p -88.13 105.97 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.076 0.465 . . . . 0.0 111.205 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.798 HD22 ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 55.78 138.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.654 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HD3' HD12 ' A' ' 34' ' ' LEU . 1.9 ptpp? -47.09 -24.87 0.73 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.526 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 5.9 t70 -53.97 -42.11 68.6 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mp -100.86 79.7 0.23 Allowed Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.011 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.526 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 59.9 Cg_endo -71.38 54.88 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.785 2.323 . . . . 0.0 113.246 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' CG ' ' CE1' ' A' ' 10' ' ' PHE . 5.3 tm-20 61.9 -72.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.402 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.8 tm-20 -128.99 -36.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 111.621 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -169.81 -70.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.259 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -124.05 112.27 28.55 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 16' ' ' PRO . 86.0 Cg_endo -92.94 178.52 1.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.974 2.449 . . . . 0.0 112.523 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 90.1 m-85 -92.01 -28.78 16.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.615 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.714 HG11 HG21 ' A' ' 40' ' ' ILE . 7.8 m -73.2 -13.81 16.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.567 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -48.98 -37.71 21.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.758 0.314 . . . . 0.0 111.015 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.467 ' CD2' HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.88 -26.14 65.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -66.56 -37.21 84.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.95 68.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.9 28.37 4.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.437 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.618 ' O ' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -77.48 -12.55 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 111.569 -179.758 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -177.99 46.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.411 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt 61.53 45.98 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -66.62 -13.39 61.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.198 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.18 160.42 0.23 Allowed 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.4 mm? -78.47 93.32 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.8 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 p -87.49 86.19 7.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.763 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.798 ' O ' HD22 ' A' ' 12' ' ' LEU . 9.8 p-10 -59.4 -20.26 53.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.49 5.54 47.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.627 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.56 157.17 19.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.92 0.391 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -146.21 159.05 43.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.714 HG21 HG11 ' A' ' 23' ' ' VAL . 28.9 mt -147.07 117.47 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.236 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' H ' HD13 ' A' ' 56' ' ' LEU . . . -84.94 127.04 34.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.724 HD13 HG23 ' A' ' 53' ' ' VAL . 28.6 mm -113.68 115.21 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.9 mm -100.1 107.43 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.444 ' OG ' HD11 ' A' ' 6' ' ' LEU . 6.5 t -95.45 109.65 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 73' ' ' GLY . 41.1 pt -151.18 -168.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.46 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.45 38.79 4.1 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.921 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 51.19 52.88 13.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 65.08 66.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -177.39 167.81 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -119.58 137.33 53.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -89.47 126.57 35.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.724 HG23 HD13 ' A' ' 42' ' ' ILE . 14.1 p -109.19 143.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 mt -141.52 120.58 12.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -76.04 134.74 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.402 HD13 ' H ' ' A' ' 41' ' ' ALA . 8.0 mp -98.67 109.59 22.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 t -96.19 -39.5 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -140.0 34.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.48 ' CZ ' HG12 ' A' ' 65' ' ' ILE . 1.6 t80 -67.19 -172.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.771 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 59' ' ' TYR . 3.1 p-10 49.2 109.24 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.854 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.93 -52.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.535 ' O ' HD12 ' A' ' 65' ' ' ILE . 4.1 m -146.42 -174.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.72 1.45 38.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -84.8 -31.1 24.06 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.072 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.858 HD13 ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -81.25 -25.51 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.736 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.858 ' N ' HD13 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -77.9 -35.93 50.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.222 179.224 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -32.87 74.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.039 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -54.01 42.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.468 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.11 -48.11 83.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.64 -33.07 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.343 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HA ' ' CD ' ' A' ' 75' ' ' LYS . 20.3 tt0 -66.55 -39.4 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.517 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.39 -5.11 53.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.433 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.511 ' O ' HD13 ' A' ' 45' ' ' ILE . . . -84.2 -65.03 1.55 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.847 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.46 -15.9 12.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.754 0.311 . . . . 0.0 111.804 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.401 ' CD ' ' HA ' ' A' ' 71' ' ' GLU . 9.4 mttp -100.12 -157.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.786 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 mt -44.04 125.97 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 120.803 0.335 . . . . 0.0 111.481 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -99.59 -175.8 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.82 ' O ' HG22 ' A' ' 80' ' ' THR . 26.5 m-70 -62.29 -59.17 5.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 78' ' ' HIS . 14.6 t 46.79 31.06 1.32 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.363 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.82 HG22 ' O ' ' A' ' 78' ' ' HIS . 1.8 t 174.94 -28.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.489 ' HB3' HD21 ' A' ' 84' ' ' LEU . 5.2 mt 74.36 23.3 2.03 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.48 ' H ' HG23 ' A' ' 80' ' ' THR . 0.6 OUTLIER -75.3 -29.37 60.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.75 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.4 -59.66 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.458 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -56.03 -35.63 67.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.166 179.254 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -66.81 -26.57 67.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.146 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.0 -32.94 62.89 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.278 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.57 71.67 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.91 0.386 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.692 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.618 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.705 0.288 . . . . 0.0 110.949 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 2' ' ' PHE . 4.8 mp -73.15 112.69 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.7 94.67 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.07 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -121.07 157.84 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tp -150.15 143.4 25.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.714 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -112.24 74.08 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.044 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.41 151.32 51.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.241 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.0 mt -133.0 100.48 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.325 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.764 ' CD2' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -98.51 102.55 14.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.894 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.954 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.1 t -100.3 -177.75 3.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.972 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.954 HD22 ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 46.17 152.48 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.914 0.886 . . . . 0.0 111.945 -177.852 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.76 -26.45 0.39 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.436 -178.538 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.517 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -81.59 -17.0 49.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.861 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -9.47 73.79 0.02 OUTLIER Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 123.927 0.891 . . . . 0.0 113.299 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 14' ' ' ASP . 84.3 Cg_endo -102.76 48.89 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.378 2.719 . . . . 0.0 114.189 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER 25.26 -93.45 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.815 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -157.06 17.94 0.3 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.731 0.301 . . . . 0.0 110.938 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -170.58 79.78 0.09 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 121.023 0.439 . . . . 0.0 110.805 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 62.62 137.73 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HG3' ' HB3' ' A' ' 16' ' ' PRO . 30.9 Cg_exo -60.79 120.65 8.48 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.496 2.131 . . . . 0.0 112.502 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.15 -29.14 12.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.647 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.717 ' HB ' HD21 ' A' ' 15' ' ' LEU . 4.7 t -92.65 -13.28 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.35 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -47.72 -32.3 5.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -60.19 -36.27 77.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.632 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -34.58 76.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.262 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.24 -29.53 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.579 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.63 17.65 23.06 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.615 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.76 -24.2 21.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.95 0.405 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -178.11 40.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.884 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm 55.9 42.66 28.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.759 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -43.99 84.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -178.12 104.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.43 52.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.08 168.2 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -81.8 0.7 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.464 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.86 25.03 7.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.68 0.276 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -83.43 134.17 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -139.46 141.44 37.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.538 HD13 HG11 ' A' ' 23' ' ' VAL . 20.1 mt -150.02 127.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.239 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.548 ' HB2' HD22 ' A' ' 56' ' ' LEU . . . -103.21 112.21 24.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.861 HG13 HG23 ' A' ' 53' ' ' VAL . 2.9 mp -107.17 125.81 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 43' ' ' ILE . 3.9 mp -119.49 103.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -73.09 144.05 47.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.001 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.729 HD13 ' H ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -135.51 -38.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.314 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -139.8 98.59 3.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.234 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.24 -37.43 54.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.874 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -67.2 -31.79 72.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.997 0.427 . . . . 0.0 110.155 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 46' ' ' LYS . 1.3 mm100 -77.96 -78.77 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.536 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER 163.96 37.89 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.544 179.739 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.49 ' HA ' HD13 ' A' ' 45' ' ' ILE . 10.9 m-80 48.78 -167.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.311 . . . . 0.0 111.017 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.73 92.59 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 110.636 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.861 HG23 HG13 ' A' ' 42' ' ' ILE . 8.5 p -82.72 142.8 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.367 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -143.22 130.18 20.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.778 179.741 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -69.89 146.36 51.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.095 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.548 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.7 tp -137.15 143.66 42.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.6 m -100.01 -77.04 0.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.4 p -177.97 138.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.42 -47.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.7 t30 60.67 30.83 19.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.62 149.52 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -117.57 116.85 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -78.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -85.62 -42.5 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 tt -62.83 -30.9 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -75.61 -49.37 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -31.47 69.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.38 -55.23 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -50.42 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.266 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.94 -36.81 50.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.846 0.355 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -42.91 96.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.716 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.44 -24.64 42.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.66 -59.51 10.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.59 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.52 40.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.293 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -81.29 -85.06 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.968 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.22 -82.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.222 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -166.6 160.9 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -91.32 174.34 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.454 HG21 ' HB3' ' A' ' 82' ' ' LYS . 3.1 t -123.68 52.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.9 m 62.39 -85.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.241 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.5 mt -148.72 29.0 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.746 0.308 . . . . 0.0 111.055 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.454 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.1 OUTLIER -77.27 -55.71 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.092 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 84' ' ' LEU . 37.1 pt -56.74 -31.5 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.536 HD12 HG13 ' A' ' 83' ' ' ILE . 4.7 mp -73.96 -31.83 63.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.28 -24.58 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.66 -21.26 10.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.729 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -105.99 -54.4 2.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.788 0.327 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.417 HD13 HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.756 0.312 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tp -75.74 148.34 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 5' ' ' THR . . . -104.16 146.31 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 4' ' ' ALA . 1.2 p -164.76 136.55 4.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tp -118.98 120.38 37.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 114.62 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.22 162.18 27.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 9' ' ' ILE . 11.6 tt -117.14 123.6 72.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.222 0.534 . . . . 0.0 111.559 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.583 ' CD2' HG21 ' A' ' 23' ' ' VAL . 2.2 m-85 -114.47 111.82 22.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.231 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.84 118.93 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.745 ' N ' ' HB2' ' A' ' 38' ' ' ASP . 4.6 tp -26.2 -48.15 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.692 ' HB3' HD12 ' A' ' 34' ' ' LEU . 14.2 mmtm -100.51 -46.91 5.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.741 0.305 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.478 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 67.3 m-20 -94.59 38.55 1.1 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.915 0.388 . . . . 0.0 111.243 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.707 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 3.5 pp -85.33 -20.08 0.26 Allowed Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 81.0 Cg_endo -82.12 54.0 4.8 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 121.434 1.422 . . . . 0.0 112.999 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -31.67 -36.46 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.175 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.1 tm-20 -88.8 -58.71 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.197 0.522 . . . . 0.0 111.223 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 16' ' ' PRO . 5.4 t80 -171.26 -60.35 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.29 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.95 95.9 1.96 Allowed Pre-proline 0 C--N 1.332 -0.163 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.09 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.515 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 87.0 Cg_endo -77.04 -158.49 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.866 2.377 . . . . 0.0 112.394 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -88.68 -7.37 56.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.664 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -100.67 -7.68 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -53.88 -23.4 12.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.686 0.279 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.4 p90 -68.85 -31.72 70.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.7 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -32.78 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.639 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' LEU . . . -73.37 -18.0 61.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.957 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.74 28.63 2.73 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.826 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.11 -11.83 61.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.702 0.251 . . . . 0.0 111.438 -179.791 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -169.65 47.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.376 . . . . 0.0 111.042 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.31 46.24 7.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -68.46 -14.04 62.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.35 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.584 ' C ' HD13 ' A' ' 34' ' ' LEU . 4.8 ptpt 48.04 -176.05 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 111.449 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -117.49 119.08 33.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -100.21 -90.28 0.32 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.771 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -179.8 -27.76 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.04 22.02 2.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.057 0.455 . . . . 0.0 110.727 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.745 ' HB2' ' N ' ' A' ' 12' ' ' LEU . 4.6 p30 -53.31 93.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.318 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.547 ' C ' HD12 ' A' ' 56' ' ' LEU . 33.6 mm-40 -125.85 100.62 6.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.369 . . . . 0.0 111.28 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 10' ' ' PHE . 5.8 tt -143.53 103.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.57 160.24 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.813 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.788 HG12 HG23 ' A' ' 53' ' ' VAL . 21.1 mt -138.67 141.37 37.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.562 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.631 ' N ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -142.83 156.53 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 111.495 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 18.9 p -134.37 144.43 48.22 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.65 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 45' ' ' ILE . 3.9 mt -119.26 16.03 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.523 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? 55.9 30.36 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.57 39.65 2.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 p 57.32 20.35 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.652 0.263 . . . . 0.0 111.239 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -156.05 19.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.344 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.0 t 42.74 32.95 0.42 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.851 0.357 . . . . 0.0 111.551 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 46.6 t30 59.39 -110.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.571 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.446 ' CE1' ' OD1' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -170.54 175.94 4.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.97 0.414 . . . . 0.0 111.042 179.602 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.788 HG23 HG12 ' A' ' 42' ' ' ILE . 8.7 p -101.06 151.06 5.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.765 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.543 HD13 ' N ' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -121.37 126.87 50.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.925 0.393 . . . . 0.0 111.188 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.543 ' N ' HD13 ' A' ' 54' ' ' LEU . 15.5 t80 -93.54 110.3 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.547 HD12 ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -94.8 148.53 22.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.754 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.0 t -99.99 -32.98 10.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.39 164.3 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -124.95 136.96 54.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.927 0.394 . . . . 0.0 111.039 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.574 ' O ' HD12 ' A' ' 65' ' ' ILE . 11.0 m-20 -168.63 139.45 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.663 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m 65.81 -169.58 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.806 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 m -152.42 82.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 179.11 -52.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.02 7.03 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.468 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -118.04 -39.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.82 0.343 . . . . 0.0 110.903 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -76.25 -37.89 57.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -58.25 -46.74 85.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -43.75 69.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.29 -52.07 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -51.3 -32.82 26.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.006 0.432 . . . . 0.0 110.539 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 1.6 mt-10 -63.23 -47.31 83.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.509 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HB1' ' NE2' ' A' ' 78' ' ' HIS . . . -64.3 -29.7 70.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -57.83 -65.08 3.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 176.05 53.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.002 0.43 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 1.3 tttm -99.85 -76.35 0.55 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.7 HG22 ' OD1' ' A' ' 77' ' ' ASN . 64.1 mt -82.72 -80.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.7 ' OD1' HG22 ' A' ' 76' ' ' ILE . 0.7 OUTLIER -177.94 25.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.605 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.47 ' NE2' ' HB1' ' A' ' 72' ' ' ALA . 0.3 OUTLIER 53.17 174.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 0.0 111.3 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.73 ' OG1' HG23 ' A' ' 83' ' ' ILE . 65.6 p -124.5 2.46 8.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.016 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.508 HG23 ' C ' ' A' ' 79' ' ' THR . 1.4 p 75.5 -68.03 0.22 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.718 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.462 ' N ' ' OG1' ' A' ' 80' ' ' THR . 19.2 mt -147.76 12.17 0.99 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -73.24 -50.79 20.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.676 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.73 HG23 ' OG1' ' A' ' 79' ' ' THR . 0.2 OUTLIER -52.44 -28.12 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.871 179.726 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -69.37 -51.2 39.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.236 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.74 -17.22 64.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.193 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.76 -35.6 13.04 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.411 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.479 ' O ' HD12 ' A' ' 88' ' ' LEU . 7.2 p80 174.61 75.61 0.0 OUTLIER 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.747 0.308 . . . . 0.0 111.208 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 87' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.917 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 3' ' ' ILE . 9.1 tp -165.09 119.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.36 92.17 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.908 HG22 HG22 ' A' ' 45' ' ' ILE . 20.9 p -141.81 109.89 5.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.453 HD13 ' H ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -142.4 145.99 34.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' H ' HD13 ' A' ' 6' ' ' LEU . 1.9 ptpt -119.96 93.18 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.767 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.92 151.44 25.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.688 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.0 113.35 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.704 ' CZ ' HD12 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -108.11 112.3 24.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.375 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.535 ' OG1' HD13 ' A' ' 15' ' ' LEU . 71.5 p -102.69 120.56 40.79 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 111.81 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 58.51 139.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.08 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.711 ' CG ' ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -50.01 -25.37 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 179.358 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -46.39 88.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.176 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD13 ' OG1' ' A' ' 11' ' ' THR . 0.3 OUTLIER -80.32 111.36 21.82 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.58 0.229 . . . . 0.0 111.032 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 18' ' ' GLU . 92.1 Cg_endo -92.98 46.94 0.36 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.927 2.418 . . . . 0.0 112.379 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 7.6 tp10 63.9 -65.06 0.13 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.073 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 16' ' ' PRO . 5.8 tp10 -164.79 -29.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -170.84 91.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.897 0.38 . . . . 0.0 111.417 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.08 106.2 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.964 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' ' HB2' ' A' ' 16' ' ' PRO . 43.1 Cg_endo -95.34 159.01 1.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.022 2.481 . . . . 0.0 112.782 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -89.39 8.31 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.406 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.82 HG13 ' HD2' ' A' ' 26' ' ' LYS . 46.8 t -100.21 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.299 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -44.63 -36.7 3.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.991 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.449 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 5.6 p90 -61.77 -46.5 89.3 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.647 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.82 ' HD2' HG13 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -63.49 -24.43 67.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 0.0 110.301 179.373 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.711 ' HB1' ' CG ' ' A' ' 13' ' ' LYS . . . -72.34 -26.88 62.09 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.35 37.52 1.74 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.519 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -77.06 -5.28 48.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.585 0.231 . . . . 0.0 111.481 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.2 tp10 -161.7 45.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.005 0.431 . . . . 0.0 111.023 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 59.58 45.0 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.745 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -78.15 -19.56 53.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp 64.67 -176.63 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -113.24 98.93 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.98 -174.52 4.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.497 ' HA ' HD11 ' A' ' 12' ' ' LEU . 2.7 p30 -120.54 28.2 8.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -139.31 13.05 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.336 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.2 138.86 36.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' HD13 ' A' ' 40' ' ' ILE . 8.0 tt0 -139.15 135.18 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.694 HG21 HG11 ' A' ' 23' ' ' VAL . 18.9 mm -125.11 142.23 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.84 115.03 14.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.704 HD12 ' CZ ' ' A' ' 10' ' ' PHE . 22.1 mt -98.11 118.06 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.423 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.584 HG21 ' HA2' ' A' ' 73' ' ' GLY . 33.6 mt -113.06 97.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.795 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -105.87 152.1 23.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -179.624 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.908 HG22 HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER -140.13 -176.96 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.447 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -80.01 54.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 111.5 -179.646 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.68 14.51 55.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.467 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 p 58.19 21.08 7.69 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.745 0.307 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 175.17 39.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.25 -162.73 0.08 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.495 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.528 ' OD1' HD11 ' A' ' 45' ' ' ILE . 53.7 t30 -146.58 -115.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.265 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -121.83 153.65 38.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 111.109 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 53' ' ' VAL . 10.7 p -121.91 106.4 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -100.07 -171.38 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' HE1' HD22 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -166.87 151.92 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.885 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 56' ' ' LEU . 1.9 mm? -108.3 113.72 27.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 p -89.56 -47.58 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 p -137.66 76.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -87.55 136.43 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -104.4 -89.85 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 p 168.58 45.15 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 m -124.94 154.82 33.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.309 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.63 -28.4 67.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -44.73 83.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.9 mm -80.84 -32.89 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -63.41 -42.28 98.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -70.88 -32.89 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.39 -45.2 88.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.1 tp -75.29 -37.28 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -46.55 89.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.325 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' ALA . 7.9 pt-20 -61.84 -34.62 76.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.424 ' N ' ' HG3' ' A' ' 71' ' ' GLU . . . -81.57 -24.11 36.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.584 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -58.38 -60.28 9.23 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.69 29.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.651 0.262 . . . . 0.0 111.566 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -100.2 -73.3 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.188 0.518 . . . . 0.0 110.766 179.64 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 tp -100.13 137.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.023 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -66.48 170.57 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.806 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.49 71.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.587 ' C ' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER -92.67 145.63 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.587 HG23 ' C ' ' A' ' 79' ' ' THR . 1.4 p 81.83 -36.66 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.483 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 64.38 15.36 9.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 85' ' ' GLU . 13.1 mtpt -77.59 -22.89 50.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' CD2' ' A' ' 87' ' ' HIS . 8.7 pt -74.08 -33.18 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 110.261 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -69.23 -45.08 70.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.203 179.354 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -73.55 -12.16 60.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.385 179.052 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.07 -29.48 9.0 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.41 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 83' ' ' ILE . 4.7 p80 -104.19 -30.18 10.36 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.813 0.34 . . . . 0.0 110.956 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . 12.1 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.2 mp -59.26 103.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.13 97.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.69 86.48 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 6' ' ' LEU . 5.3 tp -60.05 129.91 44.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -141.63 72.64 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.0 135.48 15.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.28 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 mt -104.52 130.64 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.085 0.469 . . . . 0.0 111.399 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.704 ' CE2' HG22 ' A' ' 23' ' ' VAL . 3.1 m-85 -104.31 122.93 46.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.273 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.733 ' O ' HD12 ' A' ' 12' ' ' LEU . 9.9 t -100.83 146.07 27.76 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 11' ' ' THR . 0.9 OUTLIER 38.33 -145.73 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.494 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' H ' ' HB2' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -87.65 -43.19 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.703 0.287 . . . . 0.0 111.174 -179.33 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' PRO . 1.5 t70 -56.52 -23.13 37.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.042 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.693 HD21 HD12 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -13.5 78.28 0.02 OUTLIER Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.588 ' O ' ' N ' ' A' ' 18' ' ' GLU . 93.8 Cg_endo -98.08 47.53 0.09 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 122.86 2.373 . . . . 0.0 113.255 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 1.6 tt0 44.53 -82.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.216 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 16' ' ' PRO . 25.1 tt0 -162.48 31.3 0.11 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.168 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.91 -61.03 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.362 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HG3' ' HD2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -149.94 151.96 33.29 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-O 120.72 0.295 . . . . 0.0 111.295 -179.568 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 24.4 Cg_exo -63.55 114.46 2.55 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.975 2.45 . . . . 0.0 112.607 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.21 -61.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.704 HG22 ' CE2' ' A' ' 10' ' ' PHE . 35.4 m -71.23 -9.41 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.65 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -48.49 -27.93 3.01 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.878 0.37 . . . . 0.0 110.665 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -60.23 -37.59 80.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.391 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HG3' HD12 ' A' ' 29' ' ' LEU . 16.9 tttm -59.67 -41.22 90.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.57 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.44 70.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.475 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.55 11.08 56.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.67 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 ' HG3' ' A' ' 26' ' ' LYS . 4.6 mt -50.57 -24.94 3.58 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.88 0.372 . . . . 0.0 111.345 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 6.9 pt-20 -176.28 43.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.042 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER 47.4 40.22 10.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.643 -179.784 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -54.04 -66.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.204 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -164.07 106.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.35 78.85 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 t -89.12 164.69 14.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -98.53 -15.5 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.6 25.83 11.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.178 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.35 171.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.772 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -155.96 116.86 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.232 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.693 HD12 HD21 ' A' ' 15' ' ' LEU . 18.7 mt -137.21 160.91 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.496 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -152.27 137.93 17.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.961 0.41 . . . . 0.0 111.86 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.748 HD12 HG22 ' A' ' 53' ' ' VAL . 22.7 mm -109.47 127.1 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.536 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.776 HG22 HD11 ' A' ' 45' ' ' ILE . 31.1 mt -111.46 123.48 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 111.76 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.603 ' C ' HD12 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -130.78 142.67 50.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.016 179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.776 HD11 HG22 ' A' ' 43' ' ' ILE . 3.7 mp -145.97 66.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.372 . . . . 0.0 111.634 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.43 29.44 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.07 56.7 3.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.271 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 25.7 p 47.34 70.93 0.36 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 48' ' ' THR . 13.5 pt20 45.73 52.77 9.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.016 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.19 154.91 42.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -148.9 -177.29 5.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.768 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -124.97 130.67 52.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.748 HG22 HD12 ' A' ' 42' ' ' ILE . 28.1 t -108.27 99.22 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -109.47 145.64 35.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.038 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -99.87 132.83 44.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -108.65 128.92 55.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.94 35.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.3 p 63.21 135.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.988 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -159.39 28.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 45.49 -169.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.441 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.16 132.0 39.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.596 HG13 ' HB2' ' A' ' 64' ' ' GLU . 13.5 p -179.09 160.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.514 ' N ' HG22 ' A' ' 62' ' ' VAL . 3.7 p30 -53.33 -22.88 7.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.603 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.596 ' HB2' HG13 ' A' ' 62' ' ' VAL . 9.0 mm-40 -59.57 -50.64 73.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' ' CE1' ' A' ' 59' ' ' TYR . 3.3 pt -64.8 -24.55 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.303 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' N ' HG13 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -77.81 -34.48 52.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.686 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -86.82 -37.84 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -56.0 26.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.2 -51.19 64.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.745 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.17 -31.08 63.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.546 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 4.5 mm-40 -66.33 -44.21 83.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.419 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' CE1' ' A' ' 78' ' ' HIS . . . -77.49 -25.22 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.055 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.516 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -57.05 -59.22 11.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.19 58.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 111.217 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -95.77 177.95 5.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.947 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.478 HD13 ' N ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -56.42 117.82 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.421 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 t30 54.93 104.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.363 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.4 ' CE1' ' O ' ' A' ' 72' ' ' ALA . 23.0 t-80 -142.21 77.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.1 t -177.31 37.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.968 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 82' ' ' LYS . 2.1 t -111.12 -17.32 13.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tp 66.96 18.46 10.6 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.497 ' H ' HG23 ' A' ' 80' ' ' THR . 14.8 mmtt -78.88 -55.62 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.771 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 pt -55.49 -33.62 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.781 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.31 -36.52 77.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.125 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.67 -13.97 60.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.626 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.51 -29.75 7.26 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.851 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 3.8 p-80 -111.89 -33.53 6.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.757 0.313 . . . . 0.0 111.089 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 87' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.1 t80 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.778 0.323 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER 48.54 -175.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.624 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ALA . . . . . 0.636 ' N ' HG23 ' A' ' 3' ' ' ILE . . . -148.83 81.89 1.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.1 p -101.81 81.88 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.17 127.7 43.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.542 ' NZ ' ' HB1' ' A' ' 41' ' ' ALA . 17.7 tptt -107.63 110.88 22.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.94 168.2 13.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.435 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 tt -154.65 131.32 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.279 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 17' ' ' GLU . 3.5 m-85 -104.15 138.89 39.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.639 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.706 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -108.72 105.73 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.985 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.706 HD23 ' C ' ' A' ' 11' ' ' THR . 1.0 OUTLIER 49.24 132.62 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.526 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -31.65 0.08 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.673 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.55 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.1 t70 -55.55 -40.31 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.54 95.91 4.8 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.15 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 65.1 Cg_endo -86.63 69.62 4.24 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.686 2.257 . . . . 0.0 112.501 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 4.5 tp10 64.95 -65.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.054 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' PRO . 38.2 tt0 -165.75 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -150.56 -84.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -72.22 129.3 87.8 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.675 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -87.73 116.35 1.08 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.924 2.416 . . . . 0.0 112.158 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.477 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -100.15 -70.16 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.127 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 40' ' ' ILE . 12.3 p -53.1 -19.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.793 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -44.29 -36.61 2.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 6.8 p90 -65.23 -33.67 76.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.674 0.273 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -71.78 -30.29 65.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.96 0.409 . . . . 0.0 110.264 179.505 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.93 61.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.54 25.05 5.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.617 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.66 -17.47 55.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 111.207 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.69 39.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.019 0.438 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.27 42.09 31.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HD3' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -79.11 142.39 36.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.903 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.813 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -115.78 110.61 19.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.813 HD13 ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -119.81 151.44 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -168.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.39 80.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -170.19 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.051 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -48.8 95.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.427 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -108.73 125.65 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.679 HD12 ' CE1' ' A' ' 55' ' ' PHE . 3.4 mm -108.48 163.52 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.215 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.542 ' HB1' ' NZ ' ' A' ' 7' ' ' LYS . . . -136.2 119.27 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.0 mt -102.3 125.56 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.681 HG22 ' CD1' ' A' ' 45' ' ' ILE . 37.6 mt -128.57 137.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.81 129.1 27.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.681 ' CD1' HG22 ' A' ' 43' ' ' ILE . 4.8 mp -145.53 73.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.567 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.35 -81.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.3 37.96 1.8 Allowed Glycine 0 C--N 1.334 0.425 0 C-N-CA 121.232 -0.509 . . . . 0.0 112.907 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.3 43.51 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 110.525 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 68.59 66.4 0.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.818 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.6 p -161.1 -174.56 4.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -153.83 144.57 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -90.78 159.89 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.9 t -137.45 141.48 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -137.75 130.79 30.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.679 ' CE1' HD12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -92.84 112.42 24.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -91.11 86.37 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.816 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -30.15 60.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.82 93.72 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.49 ' CZ ' ' HB ' ' A' ' 65' ' ' ILE . 6.1 t80 -105.04 91.89 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.709 ' O ' HG21 ' A' ' 65' ' ' ILE . 7.6 p30 -123.44 -178.08 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.78 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p 60.69 -179.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' HA ' ' CG1' ' A' ' 65' ' ' ILE . 5.9 m -146.53 178.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t0 74.7 -57.22 0.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.498 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -40.3 25.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.361 . . . . 0.0 110.949 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.709 HG21 ' O ' ' A' ' 60' ' ' ASN . 2.5 pp -61.18 -32.17 52.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -75.82 -43.67 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.004 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -74.41 -37.2 63.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.53 -40.81 92.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.805 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 69' ' ' LEU . 4.0 tp -71.86 -44.26 64.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.737 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.71 -38.22 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.738 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 3.7 tt0 -68.17 -43.02 79.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.742 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB1' ' HE2' ' A' ' 78' ' ' HIS . . . -85.19 10.03 13.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.644 ' O ' HD13 ' A' ' 45' ' ' ILE . . . -97.95 -59.08 0.96 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.731 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.16 -2.76 6.98 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -77.67 -157.19 0.09 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.119 -0.233 . . . . 0.0 110.616 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 77' ' ' ASN . 3.0 mt -44.62 159.15 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-O 120.772 0.32 . . . . 0.0 111.373 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.507 ' N ' HG22 ' A' ' 76' ' ' ILE . 36.0 m-80 -78.87 56.64 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.283 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.467 ' HE2' ' HB1' ' A' ' 72' ' ' ALA . 23.9 m170 45.01 29.65 0.49 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.533 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.662 HG23 ' N ' ' A' ' 80' ' ' THR . 0.6 OUTLIER 45.38 -166.03 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.662 ' N ' HG23 ' A' ' 79' ' ' THR . 10.1 t -69.54 62.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 111.4 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.915 HD23 HD13 ' A' ' 84' ' ' LEU . 3.8 mt 44.63 27.77 0.27 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.942 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.05 -42.01 27.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.819 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 84' ' ' LEU . 12.0 tt -57.9 -41.21 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.701 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.915 HD13 HD23 ' A' ' 81' ' ' LEU . 4.6 mp -63.41 -43.34 97.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.093 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.75 -19.69 65.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.502 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.8 -32.78 23.29 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.691 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -171.19 68.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.857 0.361 . . . . 0.0 111.321 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.985 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.453 ' CD2' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.81 0.338 . . . . 0.0 110.802 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.581 HD12 ' N ' ' A' ' 3' ' ' ILE . 1.8 mp 62.2 112.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.08 97.42 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.031 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.89 144.26 52.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.38 140.13 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LYS . . . . . 0.608 ' HA ' HG22 ' A' ' 43' ' ' ILE . 6.8 mtpt -148.74 136.97 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.89 136.61 5.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.575 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.06 105.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.784 ' HB3' HD13 ' A' ' 15' ' ' LEU . 3.3 m-85 -100.06 137.37 38.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.77 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 14' ' ' ASP . 3.1 p -103.49 114.99 29.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.887 HD13 ' CB ' ' A' ' 38' ' ' ASP . 9.0 tp -2.4 -79.01 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' NZ ' ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -72.54 -43.98 62.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.358 -179.104 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' THR . 12.2 m-20 -91.5 38.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.223 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.059 HD12 HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -47.07 -62.6 1.89 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.943 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.456 ' HB3' ' HA ' ' A' ' 21' ' ' PRO . 90.0 Cg_endo -78.18 50.7 3.42 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.758 2.305 . . . . 0.0 113.159 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -40.38 -31.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.235 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 26.4 mt-10 -65.56 -68.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.829 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -170.89 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.576 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 12.7 tpt85 -53.78 130.32 56.25 Favored Pre-proline 0 CA--C 1.531 0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.805 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 31.9 Cg_endo -93.15 108.94 0.19 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.282 2.655 . . . . 0.0 112.67 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -100.45 -81.91 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.257 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 1.059 HG13 HD12 ' A' ' 15' ' ' LEU . 3.1 p -72.06 -7.72 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.578 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 1.3 p-10 -51.14 -28.16 10.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.905 0.383 . . . . 0.0 110.006 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 23' ' ' VAL . 5.3 p90 -54.09 -37.71 64.54 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.014 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -44.53 67.52 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.332 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB1' ' NZ ' ' A' ' 13' ' ' LYS . . . -60.03 -27.68 67.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.074 0.464 . . . . 0.0 109.963 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.63 32.34 4.87 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.107 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.3 tt -71.73 52.76 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER 85.26 62.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.305 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 tptp 61.23 45.95 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.093 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -65.52 -66.04 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.538 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' C ' HD13 ' A' ' 34' ' ' LEU . 3.4 tptp -176.87 122.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.581 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.624 ' H ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -107.48 42.48 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.106 0.479 . . . . 0.0 110.89 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' ASP . 31.4 t -100.41 94.84 6.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.512 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.77 83.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.968 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 3.6 m-20 -170.26 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.914 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.887 ' CB ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -45.7 140.11 3.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.182 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HG2' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -100.33 133.45 44.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.282 -179.644 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.527 HD12 HD21 ' A' ' 15' ' ' LEU . 33.6 mt -147.96 125.94 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.823 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.04 142.38 51.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.918 0.39 . . . . 0.0 111.424 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.797 HG13 HG23 ' A' ' 53' ' ' VAL . 4.1 mp -122.93 134.84 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.787 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 7' ' ' LYS . 33.0 pt -139.11 155.83 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 111.546 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -119.52 165.44 14.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.477 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 73' ' ' GLY . 9.9 pt -149.6 41.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 111.554 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.61 25.44 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' C ' HG23 ' A' ' 48' ' ' THR . . . -67.83 73.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 49' ' ' GLN . 1.7 p 69.21 -63.25 0.38 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.647 0.261 . . . . 0.0 110.758 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLN . . . . . 0.43 ' N ' ' OG1' ' A' ' 48' ' ' THR . 1.4 tt0 179.24 59.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.6 p -169.87 -174.46 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.58 165.23 31.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -113.87 135.01 54.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.797 HG23 HG13 ' A' ' 42' ' ' ILE . 12.2 p -100.54 128.26 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mt -126.28 133.59 51.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.92 133.26 35.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.639 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD12 ' HG2' ' A' ' 39' ' ' GLU . 14.9 mt -92.57 79.54 4.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.947 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -75.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.77 76.02 4.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.957 ' CD2' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -126.79 94.93 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -137.17 -62.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.4 p -88.32 132.11 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.2 m -61.3 179.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.13 -66.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.18 -28.87 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.957 HD12 ' CD2' ' A' ' 59' ' ' TYR . 26.4 pt -95.99 -38.8 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -60.81 -49.1 78.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -66.0 -31.89 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.18 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 tp -65.44 -50.73 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.25 -33.43 58.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 0.0 110.544 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 17.3 mt-10 -62.96 -43.25 99.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.345 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.28 -20.33 51.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.067 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.529 ' O ' HG21 ' A' ' 45' ' ' ILE . . . -60.32 -65.62 3.24 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.65 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.39 50.2 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.948 0.404 . . . . 0.0 111.484 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.02 159.08 15.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.862 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.505 ' H ' HD12 ' A' ' 76' ' ' ILE . 3.3 mp -56.09 129.84 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.242 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.77 96.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -101.94 -31.46 10.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.676 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -58.03 -82.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.709 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' THR . 0.1 OUTLIER 50.18 -65.21 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.317 0.647 . . . . 0.0 112.284 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.676 ' N ' ' O ' ' A' ' 79' ' ' THR . 0.3 OUTLIER 80.17 -11.3 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.145 -178.762 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -53.41 6.54 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.232 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.1 -34.24 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.013 0.435 . . . . 0.0 110.263 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 tp -66.49 -36.52 82.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.153 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.68 -28.08 67.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.623 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -111.4 13.65 28.02 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.828 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -113.34 -35.66 5.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.797 0.332 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 88' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.643 0.258 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mt 52.6 85.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.776 0.322 . . . . 0.0 111.302 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.41 107.65 18.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.4 p -78.51 108.69 12.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 102.74 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -98.46 118.67 35.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.788 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.47 112.89 2.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.66 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -90.29 78.74 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.648 ' CE2' HD12 ' A' ' 42' ' ' ILE . 6.7 m-30 -94.19 87.67 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.2 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.7 t -106.18 158.24 16.98 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.52 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER 39.49 -166.49 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.807 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.532 ' NZ ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -57.86 -22.66 49.18 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.822 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASP . . . . . 0.486 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 8.2 t70 -86.63 16.12 4.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.305 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 16' ' ' PRO . 3.9 pp -70.41 -24.22 0.75 Allowed Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.747 ' N ' HD12 ' A' ' 15' ' ' LEU . 76.6 Cg_exo -54.39 59.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.483 2.122 . . . . 0.0 113.878 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 15' ' ' LEU . 2.8 tp10 31.28 36.13 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.136 0.574 . . . . 0.0 112.446 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' PRO . 2.6 tm-20 46.9 27.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.301 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 55.7 m-85 -159.0 -79.63 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.35 126.38 27.65 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.005 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.429 ' CA ' ' HB3' ' A' ' 16' ' ' PRO . 18.4 Cg_exo -66.12 112.47 2.3 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.569 2.18 . . . . 0.0 112.635 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.03 -67.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.418 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.805 HG13 HD11 ' A' ' 42' ' ' ILE . 13.5 m -81.28 -3.63 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.179 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.59 -24.37 60.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.801 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 1.7 p90 -65.26 -37.85 88.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.491 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.489 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -64.25 -26.21 68.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.482 179.509 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -30.07 66.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.61 27.25 5.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.685 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.85 ' O ' HD13 ' A' ' 29' ' ' LEU . 3.3 tm? -80.07 -18.72 49.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.727 0.299 . . . . 0.0 111.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 1.2 tt0 -149.35 39.1 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.146 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 44.08 38.13 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.826 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HD2' HD12 ' A' ' 34' ' ' LEU . 1.1 tmtp? -51.09 -26.14 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.245 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.713 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER 63.21 123.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.116 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.713 HD13 ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -156.68 149.44 23.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.666 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 t -100.2 -81.92 0.46 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -142.79 18.68 1.99 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.222 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.99 -18.94 16.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.988 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 88.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.005 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.709 ' HB3' HD12 ' A' ' 56' ' ' LEU . 4.2 tt0 -98.51 121.18 40.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.462 HG21 HG21 ' A' ' 23' ' ' VAL . 11.2 mm -119.5 150.66 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.7 113.22 4.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.805 HD11 HG13 ' A' ' 23' ' ' VAL . 15.1 mt -98.42 112.52 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 mt -105.14 134.09 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.805 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . 0.456 ' HB3' ' HA ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -153.82 125.13 7.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.243 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ILE . . . . . 0.605 HD11 ' O ' ' A' ' 73' ' ' GLY . 3.7 mp -81.58 -29.32 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.257 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -129.88 -175.07 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.104 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.76 -23.27 3.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.784 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.9 t -103.5 -27.39 12.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -102.98 -71.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.04 141.33 40.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.947 0.403 . . . . 0.0 111.181 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 44' ' ' SER . 8.8 t-20 -179.96 75.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.46 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -118.39 154.75 31.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.411 . . . . 0.0 111.49 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 53' ' ' VAL . 7.1 p -130.36 121.85 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.808 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 mt -100.21 155.31 17.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.978 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -113.56 140.26 48.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.788 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -145.79 132.18 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -88.54 -55.71 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.59 148.47 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CE2' HD13 ' A' ' 65' ' ' ILE . 10.2 t80 -137.8 139.18 39.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -142.08 -171.82 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.639 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.6 p -103.62 109.82 21.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.688 ' CG2' HG23 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -151.04 19.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.657 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.17 -58.11 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.723 0.297 . . . . 0.0 111.644 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -58.17 -41.98 85.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.966 0.413 . . . . 0.0 110.686 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.786 HD12 ' N ' ' A' ' 66' ' ' ARG . 2.1 pp -52.06 -46.01 42.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.086 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.786 ' N ' HD12 ' A' ' 65' ' ' ILE . 5.7 ptm180 -81.82 -36.3 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -59.54 -35.66 74.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.48 -44.05 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.25 -53.97 50.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.36 -36.42 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.46 -29.24 46.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.27 69.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLY . . . . . 0.605 ' O ' HD11 ' A' ' 45' ' ' ILE . . . -90.19 -31.29 10.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.537 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.68 54.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.031 0.443 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -169.36 0.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.996 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mt -84.9 -61.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.233 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -105.95 -25.82 11.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 64.52 -176.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t 43.24 92.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.462 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.513 HG21 ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -122.3 -56.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.67 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 80' ' ' THR . 11.3 mt 71.73 -42.62 0.54 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.936 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -54.06 -44.56 71.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.592 0.234 . . . . 0.0 111.359 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.513 ' CD1' HG21 ' A' ' 80' ' ' THR . 10.5 pt -61.3 -35.14 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.373 . . . . 0.0 110.602 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.0 -34.45 78.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.301 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -24.16 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.509 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.11 -31.74 37.82 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.693 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -132.05 34.58 3.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 111.349 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.971 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 p90 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.99 124.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.55 108.38 19.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.0 167.85 11.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.61 90.72 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -112.11 154.08 26.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.33 164.83 38.2 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.641 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.3 mp -115.56 111.59 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.906 0.384 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 3.4 m-30 -109.52 111.32 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.813 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.421 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -76.54 133.69 39.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.348 179.578 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.749 HD22 HG13 ' A' ' 40' ' ' ILE . 2.0 mm? -45.08 -31.53 1.41 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.688 0.28 . . . . 0.0 111.583 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CE ' ' HB3' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.05 -66.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.655 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.29 48.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 24' ' ' ASP . 46.5 mt -50.52 -47.57 83.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.549 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PRO . . . . . 0.547 ' HD3' ' HB2' ' A' ' 15' ' ' LEU . 8.2 Cg_endo -89.26 47.76 1.08 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.814 2.343 . . . . 0.0 112.608 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.9 tt0 -16.65 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.988 0.805 . . . . 0.0 112.145 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 2.1 mm-40 -77.52 -68.12 0.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.722 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.609 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 94.7 m-85 -168.62 -63.22 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -40.72 100.6 0.22 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.476 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.1 99.35 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.937 2.425 . . . . 0.0 112.449 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.22 -72.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.723 HG23 HD13 ' A' ' 15' ' ' LEU . 3.7 m -65.74 -7.01 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.849 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.791 ' HA ' HD12 ' A' ' 15' ' ' LEU . 17.6 p-10 -48.03 -28.91 3.08 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.043 0.449 . . . . 0.0 110.572 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.5 p90 -63.16 -30.19 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.642 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -69.54 -31.03 68.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.469 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.68 ' HB2' HD12 ' A' ' 12' ' ' LEU . . . -76.6 -13.56 60.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.863 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.69 26.7 2.38 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.802 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' TYR . 1.4 pt? -66.54 -14.2 62.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.74 0.305 . . . . 0.0 111.445 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -171.41 66.54 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.664 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 1.8 pttp 51.47 37.49 19.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.322 0.582 . . . . 0.0 110.788 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.709 ' O ' HD22 ' A' ' 34' ' ' LEU . 41.3 tttt -99.45 28.82 4.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.8 tttp -78.28 88.34 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.709 HD22 ' O ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -93.26 -173.74 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.27 -173.09 2.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -59.62 90.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.818 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -161.85 -43.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.421 ' HB3' ' CG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -82.68 157.42 23.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.902 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.471 ' N ' HD23 ' A' ' 12' ' ' LEU . 17.0 mt-10 -149.52 169.64 20.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.749 HG13 HD22 ' A' ' 12' ' ' LEU . 19.8 mt -136.09 159.92 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.271 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.495 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -128.37 113.14 15.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.797 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.498 ' H ' HD13 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -106.74 135.5 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.252 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 mt -138.83 125.28 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.82 118.33 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.4 mm -81.07 -37.91 16.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -165.38 119.63 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.661 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.9 -29.1 61.48 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.605 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.3 m -83.24 -28.4 29.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -82.71 -67.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.15 165.33 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -114.57 168.54 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -137.47 142.46 41.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 53' ' ' VAL . 11.8 p -134.34 121.93 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.5 mt -132.44 143.28 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -107.44 145.44 32.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 41' ' ' ALA . 9.9 mt -106.23 119.94 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -42.52 60.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.46 -82.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.5 t80 49.7 94.03 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.173 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -148.48 98.79 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.644 ' O ' HG13 ' A' ' 62' ' ' VAL . 23.1 t 57.4 81.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 61' ' ' SER . 1.8 m -162.81 119.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.82 -27.05 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.36 -58.07 9.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.44 HD12 HG21 ' A' ' 62' ' ' VAL . 29.7 mt -65.7 -35.88 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -61.54 -37.82 85.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -83.96 -31.09 25.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -68.56 -54.29 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.5 -51.45 69.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -52.82 -28.74 24.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.586 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 75' ' ' LYS . 2.5 mt-10 -67.67 -45.47 75.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -15.25 63.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.287 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.1 -67.26 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.815 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.33 -6.02 12.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -100.01 -145.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.587 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.6 mt -40.0 134.39 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.834 0.35 . . . . 0.0 111.562 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -55.58 177.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.494 ' O ' HG23 ' A' ' 83' ' ' ILE . 11.7 m80 -81.11 -24.6 37.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 p 59.02 54.4 5.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 p 57.79 -164.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.62 -4.79 36.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.474 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -48.61 -31.7 7.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.712 0.291 . . . . 0.0 111.208 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 78' ' ' HIS . 6.0 pt -63.87 -33.68 63.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.747 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.46 HD12 HG13 ' A' ' 83' ' ' ILE . 4.0 mp -66.08 -40.64 90.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.172 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -25.31 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.342 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.28 -35.72 47.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.516 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -177.14 76.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.484 ' OXT' HD13 ' A' ' 88' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.952 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 1' ' ' LEU . 4.7 tp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.815 0.341 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -168.9 -60.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.25 135.07 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.7 95.01 4.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 p -134.03 142.04 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.28 109.42 10.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -103.57 140.12 37.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.75 148.62 20.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.402 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.7 mt -108.27 92.91 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.988 0.423 . . . . 0.0 111.201 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.574 ' HD2' HD12 ' A' ' 15' ' ' LEU . 3.6 m-85 -89.38 119.55 29.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.7 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.613 ' O ' HD12 ' A' ' 12' ' ' LEU . 3.9 p -143.65 162.71 35.23 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.599 0.714 . . . . 0.0 112.355 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 45.35 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.805 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE2' HD22 ' A' ' 34' ' ' LEU . 25.3 mmtp -72.51 -18.41 61.66 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.592 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 21.5 t70 -89.08 15.47 8.67 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.637 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.611 ' CD1' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -59.27 -31.02 8.63 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 33.3 Cg_exo -62.06 64.57 0.12 Allowed 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.345 2.03 . . . . 0.0 112.934 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 16' ' ' PRO . 10.7 mt-10 -20.64 97.29 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.931 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 0.6 OUTLIER 79.87 -62.36 0.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.182 -179.698 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 4.6 m-85 -171.43 37.95 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.586 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -112.97 76.64 2.33 Favored Pre-proline 0 C--N 1.33 -0.263 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.46 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.3 55.72 5.48 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.617 2.212 . . . . 0.0 112.388 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -74.0 -68.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.65 ' CG1' HG11 ' A' ' 53' ' ' VAL . 3.5 m -62.31 -13.81 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.774 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -46.26 -30.11 1.89 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.869 0.366 . . . . 0.0 110.966 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -61.11 -34.8 75.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.13 79.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.43 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.756 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.03 18.12 11.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.573 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.94 HD13 ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -57.54 -20.63 33.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.786 0.327 . . . . 0.0 111.458 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.94 ' N ' HD13 ' A' ' 29' ' ' LEU . 16.5 tt0 -179.73 45.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.43 46.12 7.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.775 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -68.65 -168.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -59.45 127.83 34.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.426 HD22 ' HE2' ' A' ' 13' ' ' LYS . 18.2 mt -144.71 54.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -100.22 39.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.65 22.52 6.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.15 24.86 5.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.901 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.7 86.8 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.597 ' CB ' HG22 ' A' ' 11' ' ' THR . 7.0 pt-20 -97.62 125.68 42.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.312 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.17 129.63 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.67 123.99 35.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.524 HG12 HG12 ' A' ' 53' ' ' VAL . 28.5 mt -118.8 120.67 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.877 HD13 ' HA2' ' A' ' 73' ' ' GLY . 2.6 mt -127.44 127.26 68.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 p -107.02 121.68 44.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.781 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.0 pt -120.15 179.37 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 65.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.89 50.82 0.79 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.75 43.94 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.035 0.445 . . . . 0.0 110.758 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 66.38 67.39 0.45 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.6 m -163.92 -174.26 3.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 11.3 p-10 -158.68 -178.51 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -142.35 160.28 40.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.65 HG11 ' CG1' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -114.2 168.19 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' CD2' HD21 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -156.16 114.16 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.535 ' HB3' HD11 ' A' ' 88' ' ' LEU . 20.7 t80 -71.59 132.1 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.715 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 59' ' ' TYR . 7.0 mp -117.41 135.47 53.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.9 m -99.71 -33.98 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.751 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -166.17 114.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.553 ' HB2' HD23 ' A' ' 56' ' ' LEU . 72.9 t80 -110.05 -24.78 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.064 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -73.2 103.02 3.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 t -167.87 -81.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 64' ' ' GLU . 4.3 p -163.62 177.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.058 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.711 ' H ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -42.94 -25.92 0.12 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.791 ' H ' HG13 ' A' ' 62' ' ' VAL . 1.8 tm-20 -41.79 -32.36 0.39 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.492 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -110.5 -20.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.721 0.296 . . . . 0.0 111.33 179.489 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.7 ttm-85 -57.91 -51.52 69.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.891 0.377 . . . . 0.0 110.709 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -76.67 -31.61 57.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.672 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.86 -36.92 85.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tp -78.78 -39.05 36.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.687 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.16 -43.89 78.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.999 0.428 . . . . 0.0 110.555 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.86 -45.8 63.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.252 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.11 -24.33 25.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.061 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.877 ' HA2' HD13 ' A' ' 43' ' ' ILE . . . -81.96 -37.17 16.58 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.596 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.94 72.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.824 0.345 . . . . 0.0 111.387 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -100.0 -168.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.776 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 77' ' ' ASN . 6.9 tp -86.21 -44.83 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.802 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.479 ' N ' HG23 ' A' ' 76' ' ' ILE . 1.5 m120 -85.7 -88.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.257 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 57.06 175.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.794 0.33 . . . . 0.0 110.968 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.52 30.89 19.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -100.77 -27.67 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.513 HD12 HD13 ' A' ' 84' ' ' LEU . 2.9 tp 77.27 -0.46 2.88 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.576 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -61.72 1.93 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.729 0.3 . . . . 0.0 110.669 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 pt -54.81 -29.92 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.445 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.513 HD13 HD12 ' A' ' 81' ' ' LEU . 1.2 mt -68.92 -36.91 78.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.063 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -29.83 70.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.46 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.99 -27.21 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.425 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.1 -52.17 4.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 55' ' ' PHE . 4.1 mm? . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.581 ' O ' HD12 ' A' ' 1' ' ' LEU . 1.7 pp . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.797 0.332 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -141.15 27.13 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 mm -74.88 140.51 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.37 93.43 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -98.57 74.36 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.596 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.54 153.09 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.66 75.92 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.16 107.52 2.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 pt -73.13 82.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 111.374 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.887 ' HB3' HD12 ' A' ' 15' ' ' LEU . 2.2 m-30 -69.94 135.34 49.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.448 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.723 HG22 ' HG2' ' A' ' 39' ' ' GLU . 64.7 p -138.56 146.78 42.26 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.762 0.792 . . . . 0.0 112.798 -178.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' A' ' 14' ' ' ASP . 0.6 OUTLIER 41.38 -164.31 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.701 179.605 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -21.07 64.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.294 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.55 ' HB2' HD11 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -86.7 14.36 7.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.371 . . . . 0.0 110.96 179.378 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.012 HD23 ' HD3' ' A' ' 16' ' ' PRO . 1.3 pt? -68.11 -18.63 0.43 Allowed Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 1.012 ' HD3' HD23 ' A' ' 15' ' ' LEU . 3.8 Cg_exo -79.23 53.82 4.89 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 121.729 1.619 . . . . 0.0 112.52 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.69 80.83 1.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.714 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -178.41 -31.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.457 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -166.52 -79.33 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.175 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.18 172.46 5.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.964 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HA ' ' CG ' ' A' ' 16' ' ' PRO . 85.5 Cg_exo -45.62 92.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.677 2.252 . . . . 0.0 112.692 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 23.1 t80 -85.78 -75.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.761 ' CG2' HD11 ' A' ' 15' ' ' LEU . 29.3 m -62.38 -14.29 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.256 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -47.24 -28.3 1.86 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.981 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 3.6 p90 -62.09 -33.48 74.51 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.778 0.323 . . . . 0.0 110.402 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 20.5 tttt -79.78 -28.92 40.26 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.25 -21.87 53.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.348 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.64 36.03 1.74 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.352 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 29' ' ' LEU . 1.4 pt? -47.96 -24.46 1.06 Allowed 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.2 tt0 -158.02 69.14 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.426 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 47.96 43.24 17.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.279 0.561 . . . . 0.0 110.784 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -74.38 4.14 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.768 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 76.64 132.01 0.05 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.9 0.381 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.0 mm? -100.22 108.7 20.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.17 174.62 7.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -108.87 -26.38 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -86.87 -15.63 38.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.308 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.31 157.12 2.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.874 0.368 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.723 ' HG2' HG22 ' A' ' 11' ' ' THR . 1.7 mp0 -151.79 148.24 27.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.567 HD13 ' O ' ' A' ' 39' ' ' GLU . 19.4 mm -131.88 147.98 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.891 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -118.32 115.83 25.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.194 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 1.054 HD13 HG13 ' A' ' 53' ' ' VAL . 25.4 mm -109.02 101.83 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mm -98.02 142.89 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.512 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -139.8 147.74 41.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.457 HG12 ' HB2' ' A' ' 51' ' ' ASN . 0.8 OUTLIER -155.24 164.4 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.651 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.09 67.83 0.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.155 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.49 14.59 59.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.468 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m 75.99 2.54 3.65 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 179.58 61.99 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.739 0.304 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m 65.24 -163.95 0.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.601 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.512 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 44.8 t30 -130.3 -104.51 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.425 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.486 ' CE1' ' CD2' ' A' ' 78' ' ' HIS . 5.0 p-80 -151.6 170.03 20.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.834 0.35 . . . . 0.0 111.15 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.054 HG13 HD13 ' A' ' 42' ' ' ILE . 21.6 t -125.06 150.29 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.167 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.94 148.41 52.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -101.37 108.54 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.891 HD11 ' HB2' ' A' ' 41' ' ' ALA . 12.5 mt -85.99 91.79 8.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.7 p -66.89 -50.69 61.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.22 106.93 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.646 ' OH ' HD13 ' A' ' 65' ' ' ILE . 76.2 t80 -62.43 144.07 56.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 14.0 m120 -90.13 -160.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.753 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.5 t -133.84 -44.92 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.3 . . . . 0.0 111.063 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.6 m -52.55 168.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.346 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.82 -20.65 52.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -53.82 -24.01 14.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 111.039 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.646 HD13 ' OH ' ' A' ' 59' ' ' TYR . 2.5 pp -55.99 -41.91 69.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.444 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.598 ' N ' HD12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -79.11 -38.77 35.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -58.22 -50.08 74.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.182 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -60.42 -51.45 69.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.08 -58.67 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.219 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.18 -33.37 8.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 9.2 mt-10 -63.26 -43.9 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.337 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.27 -24.44 46.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.121 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.66 -65.67 3.41 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.382 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.55 28.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.041 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.24 -77.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.167 0.508 . . . . 0.0 111.032 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 77' ' ' ASN . 16.9 mm -67.04 159.9 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.137 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.468 ' N ' HG22 ' A' ' 76' ' ' ILE . 9.4 t-20 -59.35 -22.43 61.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.762 ' O ' HG22 ' A' ' 79' ' ' THR . 56.7 t-80 63.94 165.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 78' ' ' HIS . 4.5 t 56.93 137.69 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.585 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 79' ' ' THR . 0.8 OUTLIER 168.64 -31.22 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.782 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 84' ' ' LEU . 4.3 mt 70.79 2.5 4.19 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.762 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -86.17 -45.65 11.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 110.515 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.502 HG13 HD12 ' A' ' 84' ' ' LEU . 8.4 pt -61.0 -32.55 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.426 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.62 ' HG ' HD23 ' A' ' 88' ' ' LEU . 3.9 mp -69.31 -45.51 69.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.804 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.87 -20.39 66.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.372 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.4 -32.21 25.8 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.826 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -169.15 65.04 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.823 0.344 . . . . 0.0 111.297 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.62 HD23 ' HG ' ' A' ' 84' ' ' LEU . 7.9 tp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.013 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' ' 1' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.817 0.342 . . . . 0.0 111.226 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.6 t80 56.68 35.92 26.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.47 HG22 HG23 ' A' ' 5' ' ' THR . 27.1 mm 65.59 68.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.18 88.13 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.65 ' C ' HD13 ' A' ' 6' ' ' LEU . 15.9 p -97.96 165.7 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.664 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -155.53 171.32 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.616 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.59 140.71 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 111.175 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.65 115.69 5.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.248 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.8 mt -94.43 109.85 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 111.463 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -143.61 162.59 35.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.013 179.549 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.452 HG21 ' HG2' ' A' ' 39' ' ' GLU . 3.6 p -151.84 160.89 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 111.173 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 1.039 HD12 ' HB1' ' A' ' 27' ' ' ALA . 3.6 tt -48.3 -29.86 4.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.222 0.534 . . . . 0.0 110.815 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.547 ' CD ' ' N ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -100.15 -33.94 10.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.646 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -100.16 40.18 1.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.369 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' HG3' ' A' ' 21' ' ' PRO . 1.1 mp -26.93 143.29 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.781 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 99.1 Cg_exo -44.66 94.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.758 2.305 . . . . 0.0 112.3 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.4 -5.54 24.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.504 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -66.72 -35.21 79.59 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.694 0.283 . . . . 0.0 111.579 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -170.22 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.477 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 7.9 ttm180 -135.15 137.53 27.05 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-O 120.669 0.271 . . . . 0.0 111.641 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HG3' HD23 ' A' ' 15' ' ' LEU . 51.7 Cg_exo -54.52 104.86 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.723 2.282 . . . . 0.0 112.697 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -100.37 -28.48 12.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.869 HG21 HG21 ' A' ' 40' ' ' ILE . 14.7 p -100.1 -13.79 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.819 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' OD1' HD11 ' A' ' 15' ' ' LEU . 34.6 t70 -48.78 -27.96 3.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -62.78 -40.43 97.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.552 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -24.54 67.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.612 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 1.039 ' HB1' HD12 ' A' ' 12' ' ' LEU . . . -72.39 -38.89 68.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.848 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -79.7 -19.38 70.91 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.605 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -8.36 68.17 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.38 1.072 . . . . 0.0 113.055 -179.379 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.617 ' N ' ' O ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER 98.68 58.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.334 -1.303 . . . . 0.0 112.092 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 12.7 pttp 46.69 42.35 11.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.312 0.577 . . . . 0.0 110.925 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 12.5 tttt -69.4 -6.59 31.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.697 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' O ' HD11 ' A' ' 12' ' ' LEU . 0.7 OUTLIER 69.52 -172.94 0.18 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.7 0.286 . . . . 0.0 110.865 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.838 HD23 ' CD2' ' A' ' 12' ' ' LEU . 2.6 mp -108.74 84.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 111.385 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.452 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -100.22 140.24 34.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.977 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.519 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 13.7 m-20 -58.71 -16.38 16.26 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.705 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -78.2 3.57 14.88 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 11' ' ' THR . 18.2 m-20 -95.9 103.05 14.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.61 0.243 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' HG2' HG21 ' A' ' 11' ' ' THR . 0.0 OUTLIER -125.54 136.85 53.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.869 HG21 HG21 ' A' ' 23' ' ' VAL . 3.1 mp -136.52 149.96 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.449 . . . . 0.0 111.606 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.66 96.5 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.881 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.699 HG12 HG13 ' A' ' 53' ' ' VAL . 42.2 mt -82.74 136.71 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.545 HG21 ' HA2' ' A' ' 73' ' ' GLY . 15.4 mm -118.71 152.44 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.74 122.03 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.3 pt -114.97 -42.48 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.236 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -178.03 37.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.29 52.42 0.69 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 50.02 71.01 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.815 0.34 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 61.2 31.72 19.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 p -178.29 -176.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -174.39 -81.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.29 174.9 10.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.699 HG13 HG12 ' A' ' 42' ' ' ILE . 23.7 t -148.2 114.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.986 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.529 HD11 ' HB1' ' A' ' 72' ' ' ALA . 68.6 mt -108.27 165.57 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' HG13 ' A' ' 40' ' ' ILE . 1.3 t80 -118.71 111.64 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.82 138.46 57.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -99.96 -76.18 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.1 t -110.43 -77.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.075 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.565 ' HA ' HD13 ' A' ' 65' ' ' ILE . 9.1 t80 63.81 119.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -130.89 35.98 3.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.064 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 t 60.42 30.73 20.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.739 ' CG2' HD12 ' A' ' 65' ' ' ILE . 6.5 m -97.98 144.06 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.64 -27.59 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.57 -31.9 73.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.739 HD12 ' CG2' ' A' ' 62' ' ' VAL . 17.3 mt -105.45 -29.05 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -43.47 92.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.779 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.7 -29.83 62.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -58.23 -45.22 88.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.97 -57.11 5.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.698 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -49.25 -37.14 22.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.126 0.489 . . . . 0.0 110.125 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HA ' ' HG2' ' A' ' 75' ' ' LYS . 7.3 mt-10 -63.32 -53.82 46.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.061 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -61.16 -22.88 65.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.657 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.545 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -63.03 -46.58 93.17 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.445 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.78 61.5 0.47 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 1.8 mmmt -99.36 -93.96 0.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.817 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.582 ' O ' HG22 ' A' ' 76' ' ' ILE . 21.3 mt -100.25 26.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.205 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p30 44.27 30.28 0.44 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.516 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.2 m80 57.23 105.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 t -112.25 -35.08 5.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.2 p -132.36 165.87 23.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.474 HD22 HD13 ' A' ' 84' ' ' LEU . 17.5 mt -101.18 4.57 42.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.32 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -28.26 67.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.727 0.299 . . . . 0.0 110.941 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 84' ' ' LEU . 18.6 tt -59.02 -45.7 92.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.805 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -60.19 -45.28 93.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.047 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.65 -23.25 66.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.228 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.64 -33.71 55.22 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.52 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.617 ' O ' HD22 ' A' ' 88' ' ' LEU . 22.1 p-80 -168.98 70.04 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.904 0.383 . . . . 0.0 111.329 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.617 HD22 ' O ' ' A' ' 87' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.87 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.781 0.324 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -116.28 107.9 15.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.58 ' C ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -59.25 117.3 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.553 ' N ' HD13 ' A' ' 3' ' ' ILE . . . -78.22 123.83 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.4 p -88.75 107.06 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.624 ' N ' HD22 ' A' ' 6' ' ' LEU . 2.5 mm? -95.59 116.98 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -113.15 90.77 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.658 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.55 173.76 54.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.045 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.718 HG12 HG23 ' A' ' 11' ' ' THR . 12.8 tt -159.88 135.1 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.975 0.417 . . . . 0.0 111.492 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 16' ' ' PRO . 3.0 m-85 -117.8 77.69 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.305 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.738 ' C ' HD23 ' A' ' 12' ' ' LEU . 66.3 p -79.68 134.83 36.43 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.305 0.574 . . . . 0.0 111.209 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.738 HD23 ' C ' ' A' ' 11' ' ' THR . 1.2 pt? 46.52 -174.69 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.159 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.714 ' CD ' HD23 ' A' ' 34' ' ' LEU . 7.2 mtmp? -89.07 -7.13 56.44 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.834 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.634 ' HB3' HD11 ' A' ' 12' ' ' LEU . 6.9 t70 -88.2 -19.67 26.58 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.829 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -102.43 40.68 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.526 ' CD ' ' C ' ' A' ' 14' ' ' ASP . 83.5 Cg_endo -79.7 54.95 5.43 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.866 1.71 . . . . 0.0 112.666 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 35.3 tt0 56.77 -84.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -137.61 -30.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.685 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.525 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -170.18 -92.21 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.304 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.99 104.08 0.36 Allowed Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.97 125.55 4.78 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.596 2.198 . . . . 0.0 112.216 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -91.9 -13.0 31.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.273 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.46 HG11 ' HB ' ' A' ' 40' ' ' ILE . 27.6 m -100.26 -13.57 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.89 -35.94 25.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.674 0.273 . . . . 0.0 111.292 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CD2' HD22 ' A' ' 29' ' ' LEU . 7.8 p90 -58.66 -42.57 88.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.352 . . . . 0.0 110.699 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -25.29 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.445 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.808 ' HB1' ' HA ' ' A' ' 34' ' ' LEU . . . -75.01 -22.41 58.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.275 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.94 16.68 7.74 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.084 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.503 HD22 ' CD2' ' A' ' 25' ' ' TYR . 1.3 mp -100.18 36.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.91 0.355 . . . . 0.0 111.276 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -176.0 43.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.984 0.421 . . . . 0.0 111.113 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.31 32.64 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.362 0.601 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -100.47 149.8 23.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -76.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.51 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.808 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . 1.9 tp -170.15 -167.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.377 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.402 ' HB2' ' HG2' ' A' ' 13' ' ' LYS . 17.7 m -90.36 44.58 1.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.452 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -57.93 -32.2 67.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.236 0.541 . . . . 0.0 109.9 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.88 16.28 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.392 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.826 ' OD2' HD11 ' A' ' 40' ' ' ILE . 34.5 t0 -80.82 142.96 33.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.074 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HG3' HG22 ' A' ' 11' ' ' THR . 6.2 tt0 -123.06 105.74 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.706 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.826 HD11 ' OD2' ' A' ' 38' ' ' ASP . 10.1 mm -111.26 149.24 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.93 149.74 34.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.375 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.672 ' N ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -134.76 114.66 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.984 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.76 HG21 ' CA ' ' A' ' 73' ' ' GLY . 24.6 mm -99.13 114.44 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.405 ' O ' HG23 ' A' ' 45' ' ' ILE . 16.1 p -98.98 130.78 45.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -157.54 43.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.753 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? 65.8 -74.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.059 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.51 -88.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.281 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.556 ' O ' ' HB3' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -117.38 -33.03 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.559 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.556 ' HB3' ' O ' ' A' ' 48' ' ' THR . 2.0 pm0 161.89 33.27 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.717 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 49' ' ' GLN . 7.5 p 177.8 -159.06 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.713 0.292 . . . . 0.0 110.601 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 22.5 p30 -121.14 -173.26 2.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.51 ' NE2' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -134.14 145.19 49.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.74 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 42' ' ' ILE . 14.9 t -97.91 157.38 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.328 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 84' ' ' LEU . 3.9 mt -169.97 148.59 3.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.773 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.592 ' HB3' HD21 ' A' ' 88' ' ' LEU . 53.8 t80 -70.1 156.79 38.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.601 HD11 HD21 ' A' ' 69' ' ' LEU . 1.2 mm? -126.95 136.46 52.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . 0.44 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -98.74 159.35 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.85 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t -111.84 129.82 56.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.027 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.704 ' O ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 176.8 98.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -37.76 -62.14 0.57 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.914 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.849 ' O ' HG22 ' A' ' 62' ' ' VAL . 14.0 p -70.97 -153.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 61' ' ' SER . 1.0 OUTLIER 82.57 -39.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.293 0.637 . . . . 0.0 112.604 179.677 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 68.52 -46.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.847 0.356 . . . . 0.0 111.34 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.641 ' HG2' HG23 ' A' ' 62' ' ' VAL . 3.7 pt-20 -48.23 -24.99 1.33 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.615 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 59' ' ' TYR . 6.3 mt -33.34 -65.05 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.053 0.454 . . . . 0.0 111.135 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -33.6 44.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -54.54 -37.88 65.94 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.039 0.447 . . . . 0.0 110.737 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -49.15 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.699 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.601 HD21 HD11 ' A' ' 56' ' ' LEU . 9.3 mp -59.07 -45.05 91.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -31.94 70.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.178 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 5.5 tt0 -69.44 -47.06 65.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.472 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.4 7.01 27.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.43 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.76 ' CA ' HG21 ' A' ' 43' ' ' ILE . . . -92.23 -53.11 2.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.824 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 45' ' ' ILE . . . -154.55 28.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.577 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -85.9 -151.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.603 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.489 ' H ' HD13 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -36.71 -83.56 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 174.42 -179.96 0.11 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.904 0.383 . . . . 0.0 111.212 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -111.67 67.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 m -94.37 -67.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.74 -54.05 18.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 81' ' ' LEU . 10.8 mt 61.92 24.41 14.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.81 -45.28 86.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 84' ' ' LEU . 2.5 pp -56.46 -37.11 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.998 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.585 ' CD1' HD21 ' A' ' 54' ' ' LEU . 6.7 tt -65.77 -32.44 73.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.45 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -71.64 -29.95 65.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.718 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.82 -28.83 17.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.344 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -33.63 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' A' ' 55' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.637 ' N ' HD22 ' A' ' 1' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.854 0.359 . . . . 0.0 111.135 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -124.66 -83.07 0.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.983 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.638 HD12 ' N ' ' A' ' 3' ' ' ILE . 3.5 mp 47.71 90.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.813 0.34 . . . . 0.0 111.258 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.01 81.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.615 HG21 ' HB2' ' A' ' 74' ' ' ALA . 41.1 p -70.15 112.83 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.455 ' C ' HD13 ' A' ' 6' ' ' LEU . 2.0 tm? -73.95 77.28 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -99.94 109.89 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.752 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -118.57 156.87 15.48 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.537 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 10' ' ' PHE . 23.2 mt -97.57 157.97 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 0.0 111.148 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.67 ' HA ' HD21 ' A' ' 15' ' ' LEU . 4.4 m-85 -144.02 53.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.55 ' O ' HD12 ' A' ' 15' ' ' LEU . 10.1 t -83.89 124.92 31.49 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.752 0.787 . . . . 0.0 111.427 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.836 ' O ' HD12 ' A' ' 15' ' ' LEU . 6.3 mp 56.09 160.1 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.685 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -74.96 5.88 4.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.533 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.539 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -87.76 -25.48 23.39 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.303 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -101.01 34.11 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.539 ' CD ' ' C ' ' A' ' 14' ' ' ASP . 84.3 Cg_exo -45.27 83.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.154 1.902 . . . . 0.0 113.034 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' LEU . 3.3 tt0 12.39 -79.07 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.576 0.75 . . . . 0.0 112.896 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 3.8 tp10 -99.77 -46.62 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.051 0.453 . . . . 0.0 111.419 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 40.9 m-85 -170.25 -60.27 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.444 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -138.47 74.86 39.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.888 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.424 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 76.1 Cg_exo -50.93 -171.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.167 2.578 . . . . 0.0 113.87 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -92.9 -31.88 14.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.962 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.498 ' CG2' ' CE2' ' A' ' 10' ' ' PHE . 21.4 m -67.51 -10.35 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.5 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -47.72 -28.83 2.66 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.787 0.327 . . . . 0.0 110.696 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -59.85 -34.81 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.105 0.478 . . . . 0.0 109.936 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 26.6 tttp -58.82 -33.54 70.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.34 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.78 -26.26 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.285 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.06 26.43 6.76 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.067 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.6 ' HG ' ' HA ' ' A' ' 26' ' ' LYS . 16.1 mt -37.65 -71.04 0.08 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.153 0.501 . . . . 0.0 112.101 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 13.3 tp10 -177.54 94.76 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.678 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 30' ' ' GLU . 3.7 ttpt 82.45 40.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -173.24 2.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.456 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.58 112.92 19.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.89 0.376 . . . . 0.0 110.781 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -92.4 46.88 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 p -100.17 30.34 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.78 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 70.34 11.84 7.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.18 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -88.2 12.25 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.496 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.649 ' CG ' HD11 ' A' ' 40' ' ' ILE . 15.5 t0 -80.72 113.31 18.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.76 0.314 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' C ' HD12 ' A' ' 40' ' ' ILE . 3.0 mp0 -113.43 118.43 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.724 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.649 HD11 ' CG ' ' A' ' 38' ' ' ASP . 1.5 mp -145.71 165.93 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.19 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -137.55 116.43 12.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.628 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.463 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 1.2 tp -86.9 142.64 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 111.316 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.56 HG21 ' HA2' ' A' ' 73' ' ' GLY . 24.1 mt -145.99 142.11 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 6.4 t -155.8 146.81 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.661 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.896 HD12 ' HB2' ' A' ' 51' ' ' ASN . 3.1 mp -121.15 -81.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.184 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.9 41.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 111.004 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.56 14.31 63.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.742 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 p 64.15 12.47 7.07 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.546 0.212 . . . . 0.0 111.404 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -157.13 27.69 0.3 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.66 0.267 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.05 169.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.499 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.896 ' HB2' HD12 ' A' ' 45' ' ' ILE . 31.4 t30 -91.44 -94.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.556 ' CD2' ' O ' ' A' ' 51' ' ' ASN . 9.1 m80 -154.18 -170.94 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.358 . . . . 0.0 111.137 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.7 p -154.22 136.74 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.3 mt -129.75 150.31 51.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.075 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 3.0 p90 -90.94 121.51 32.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 1.9 mm? -62.28 114.03 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.3 p -100.07 -165.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.813 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -96.98 84.79 3.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -75.94 -176.54 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -98.53 -67.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -123.35 -176.27 3.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.989 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.58 33.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -109.09 -54.55 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.35 -33.52 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.34 -31.35 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -65.71 -60.47 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -59.98 -30.82 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.87 -55.35 13.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.54 -52.32 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -53.45 -43.96 68.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.71 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 4.1 tt0 -66.67 -37.15 84.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.649 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.507 ' HB1' ' CE1' ' A' ' 78' ' ' HIS . . . -84.5 3.44 36.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.337 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.56 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -92.26 -59.93 1.27 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.531 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 5' ' ' THR . . . -129.13 -1.99 5.13 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -100.19 -170.5 1.88 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.821 0.343 . . . . 0.0 111.122 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -76.49 -165.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 77.83 88.47 0.07 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.507 ' CE1' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -178.52 -178.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.804 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.559 ' C ' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER 61.33 171.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.944 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.559 HG23 ' C ' ' A' ' 79' ' ' THR . 1.6 p 81.12 -22.29 0.28 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.755 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.9 mt 61.02 18.0 8.51 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.684 0.278 . . . . 0.0 111.377 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -81.72 -52.59 7.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.783 0.325 . . . . 0.0 110.727 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.432 HG13 HD12 ' A' ' 84' ' ' LEU . 23.9 pt -59.17 -34.63 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.62 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.432 HD12 HG13 ' A' ' 83' ' ' ILE . 1.2 mp -70.71 -34.38 71.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.136 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.98 -30.17 63.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.561 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.63 -26.05 16.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -101.48 -56.49 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 110.8 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 1' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.793 0.33 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.74 173.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 mm -107.59 133.14 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.61 54.92 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.91 105.78 3.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.74 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.413 ' HA ' HD13 ' A' ' 6' ' ' LEU . 0.7 OUTLIER -96.46 123.28 40.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.967 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.735 ' HA ' HG22 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -120.03 97.6 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.83 122.5 5.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.527 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.1 tt -100.83 118.83 48.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.945 0.402 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.935 ' CD1' HD13 ' A' ' 42' ' ' ILE . 7.1 m-85 -71.61 149.75 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.189 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.797 ' OG1' HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -123.8 127.55 48.25 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.448 0.642 . . . . 0.0 111.044 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.515 HD12 ' HB ' ' A' ' 11' ' ' THR . 0.3 OUTLIER 51.33 -170.01 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.189 -179.5 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HD2' ' HB1' ' A' ' 27' ' ' ALA . 3.3 mmtp -100.31 -7.16 24.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.037 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.548 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.9 p30 -100.42 -21.68 15.3 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.797 HD23 ' OG1' ' A' ' 11' ' ' THR . 33.4 tp -101.82 74.19 0.14 Allowed Pre-proline 0 CA--C 1.533 0.309 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 74.2 Cg_endo -82.0 50.46 3.47 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.313 2.009 . . . . 0.0 112.277 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.705 ' OE2' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -60.63 90.36 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.413 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -179.99 -44.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.729 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -170.43 -75.94 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -153.13 165.45 17.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.343 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 20' ' ' ARG . 34.6 Cg_endo -65.18 67.97 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.371 2.047 . . . . 0.0 112.335 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' ARG . 82.2 t80 -79.97 -66.31 0.89 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG22 ' HG2' ' A' ' 26' ' ' LYS . 12.8 p -54.56 -17.73 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.543 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.3 -29.14 0.95 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.344 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.496 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 6.0 p90 -62.78 -34.26 76.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.771 0.32 . . . . 0.0 110.732 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.756 ' NZ ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -67.39 -30.47 70.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.193 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 13' ' ' LYS . . . -73.35 -18.97 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.819 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.19 29.15 3.09 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.004 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.8 tp -47.13 -28.76 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.72 93.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.73 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.22 44.62 9.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.518 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -100.12 135.08 42.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.623 179.446 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.28 109.41 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.026 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -120.27 97.84 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.793 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.87 -82.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 174.99 84.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -170.22 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.68 154.62 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.8 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.544 ' O ' HD13 ' A' ' 40' ' ' ILE . 8.9 mt-10 -133.01 154.6 50.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.748 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.756 HD12 ' NZ ' ' A' ' 26' ' ' LYS . 5.9 mm -122.73 153.58 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.847 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . . . -115.86 113.56 23.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.935 HD13 ' CD1' ' A' ' 10' ' ' PHE . 3.3 mp -122.13 113.82 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.735 HG22 ' HA ' ' A' ' 7' ' ' LYS . 15.1 pt -128.35 135.05 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -106.92 149.67 27.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.77 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.4 pt -146.22 41.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.253 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.61 21.96 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.64 78.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.226 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.9 m 69.54 -66.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.644 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 176.73 59.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.792 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.38 -175.23 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.66 ' OD1' HG23 ' A' ' 42' ' ' ILE . 13.8 p30 -134.88 -179.18 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -109.3 152.49 25.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -126.38 143.07 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.582 HD21 HD12 ' A' ' 84' ' ' LEU . 8.3 mt -154.99 142.32 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.423 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 2.4 t80 -74.69 118.24 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.847 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 1.3 mm? -61.72 102.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 m -100.06 30.64 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.736 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 m -57.71 171.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.513 ' CD2' HD11 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -119.45 -55.33 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -149.5 -74.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.775 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.48 92.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.479 HG23 HG12 ' A' ' 65' ' ' ILE . 4.8 m -149.87 169.16 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.36 -31.38 70.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.6 -29.91 69.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.513 HD11 ' CD2' ' A' ' 59' ' ' TYR . 28.2 mm -72.22 -62.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.226 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.67 -33.34 70.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -60.7 -31.05 70.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.769 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.12 -50.3 35.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -66.08 -55.62 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -34.35 36.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.514 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 17.1 mt-10 -60.72 -41.21 94.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.45 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.91 -22.14 33.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.227 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.537 ' HA2' HD12 ' A' ' 43' ' ' ILE . . . -56.09 -59.1 11.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.581 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.73 39.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.381 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.03 -73.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.29 0.567 . . . . 0.0 111.076 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.6 pt -95.26 39.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.639 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.0 m120 69.41 -63.93 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.426 ' ND1' HD11 ' A' ' 83' ' ' ILE . 85.5 t60 65.93 77.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -164.04 33.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.581 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -133.37 3.87 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.747 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 54.3 26.19 6.63 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.713 0.292 . . . . 0.0 111.214 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -81.9 -65.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.426 HD11 ' ND1' ' A' ' 78' ' ' HIS . 2.5 pt -54.7 -29.24 20.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.582 HD12 HD21 ' A' ' 54' ' ' LEU . 8.3 tt -76.41 -32.43 58.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.169 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.16 -24.72 51.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.481 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.6 -24.44 25.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.397 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.533 ' HB3' HD22 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -101.4 -61.86 1.32 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.932 0.396 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 87' ' ' HIS . 3.3 mm? . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.633 ' CD2' HG22 ' A' ' 3' ' ' ILE . 2.0 p90 -155.04 -49.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.633 HG22 ' CD2' ' A' ' 2' ' ' PHE . 10.7 tt -177.79 153.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.05 107.38 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p -141.87 101.08 3.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' N ' HD12 ' A' ' 6' ' ' LEU . 3.4 mp -121.85 157.0 32.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.743 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.535 ' HG3' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -141.13 133.39 28.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.479 ' O ' HD13 ' A' ' 9' ' ' ILE . . . -119.82 162.21 14.05 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.542 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.498 HG22 HG23 ' A' ' 11' ' ' THR . 26.7 mm -129.79 137.19 57.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.832 0.348 . . . . 0.0 111.066 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 16' ' ' PRO . 4.2 m-85 -119.04 65.89 0.78 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.54 ' CB ' HD22 ' A' ' 12' ' ' LEU . 22.5 p -70.69 153.84 42.43 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.715 ' O ' ' C ' ' A' ' 13' ' ' LYS . 1.2 mm? 55.21 150.21 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.322 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.715 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -7.55 83.95 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.3 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 12' ' ' LEU . 39.1 p-10 -5.07 71.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.951 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 13' ' ' LYS . 52.0 tp -54.61 112.35 3.9 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.207 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HG3' ' N ' ' A' ' 21' ' ' PRO . 91.1 Cg_endo -78.81 78.9 3.53 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.557 2.171 . . . . 0.0 112.173 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -48.5 -27.82 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 4.5 tp10 -58.73 -61.61 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.48 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 23.2 m-85 -167.01 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' HB2' ' HD2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -113.6 160.26 32.45 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.765 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD2' ' HB2' ' A' ' 20' ' ' ARG . 4.6 Cg_endo -46.65 103.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.876 2.384 . . . . 0.0 112.734 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -95.12 -50.04 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 23' ' ' VAL . 21.1 t -81.4 -7.24 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.46 -27.17 9.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.904 0.383 . . . . 0.0 110.593 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -61.51 -37.9 85.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.297 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.654 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -68.65 -27.91 66.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.976 179.054 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -73.26 -20.24 60.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.544 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.9 33.71 2.16 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.297 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -53.12 -24.24 9.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.778 0.323 . . . . 0.0 111.501 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.64 81.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.11 43.35 20.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.53 -8.45 38.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.814 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tptm 67.06 148.85 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.805 0.336 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -113.44 97.5 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.25 138.5 37.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.169 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.46 -5.74 48.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.042 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -92.55 14.12 17.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.762 0.315 . . . . 0.0 110.991 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.81 168.11 18.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.908 0.385 . . . . 0.0 111.028 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -159.93 117.31 2.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.7 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG23 ' HA ' ' A' ' 55' ' ' PHE . 29.5 mt -125.63 153.82 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.29 151.58 49.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -137.83 127.96 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.535 HG23 ' HG3' ' A' ' 7' ' ' LYS . 3.9 mp -105.57 113.66 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -79.64 132.22 36.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.3 mt -152.51 152.56 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.792 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -50.73 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.64 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.08 20.33 3.19 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.856 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 44.87 30.47 0.56 Allowed 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.754 0.312 . . . . 0.0 111.109 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.94 -63.34 0.47 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.579 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.45 -69.37 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.161 0.505 . . . . 0.0 110.645 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.477 ' CB ' ' HA ' ' A' ' 44' ' ' SER . 4.7 p-10 -179.3 -169.88 0.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.192 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.426 ' CE1' ' HB ' ' A' ' 43' ' ' ILE . 48.3 p-80 -141.0 149.07 41.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.751 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.56 HG23 HG22 ' A' ' 42' ' ' ILE . 13.3 p -111.25 158.24 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.395 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.905 HD22 HD11 ' A' ' 88' ' ' LEU . 9.7 mt -154.89 127.88 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' HA ' HG23 ' A' ' 40' ' ' ILE . 51.2 t80 -70.18 144.95 51.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.59 HD11 HD11 ' A' ' 69' ' ' LEU . 3.0 mp -122.31 131.61 53.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -59.33 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -156.39 22.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.281 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' SER . 3.6 t80 54.15 -82.52 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' SER . 0.1 OUTLIER 60.77 -79.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.802 0.334 . . . . 0.0 111.334 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -55.25 168.17 0.38 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.263 -179.701 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.0 m -146.44 169.51 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 66.74 -70.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.59 -45.43 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.82 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.82 ' O ' HD13 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -70.65 -37.92 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.02 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -38.45 83.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -77.7 -30.78 51.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.6 -50.51 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.59 HD11 HD11 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -63.06 -61.68 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 -179.773 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -49.77 -28.71 6.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 26.7 tt0 -69.63 -44.06 71.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.601 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.89 -0.91 32.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.541 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.1 -74.61 1.28 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.658 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.1 -3.11 23.48 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -99.98 -154.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.695 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.2 mt -41.54 139.45 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.929 0.395 . . . . 0.0 111.469 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -54.34 -178.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.623 ' O ' HG22 ' A' ' 79' ' ' THR . 12.7 m-70 -82.7 -14.46 54.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 78' ' ' HIS . 0.5 OUTLIER 75.92 -174.75 0.11 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 120.731 0.301 . . . . 0.0 110.932 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.76 HG23 ' HG2' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -51.12 171.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.076 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.71 -17.83 59.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.606 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.76 ' HG2' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -54.36 -30.36 51.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.78 0.324 . . . . 0.0 111.015 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 80' ' ' THR . 12.7 tt -59.79 -44.93 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.835 HD12 ' HG ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -58.98 -41.0 86.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.18 179.461 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.92 -26.8 68.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.111 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -78.61 -49.65 6.5 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.389 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 p80 179.58 77.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.905 HD11 HD22 ' A' ' 54' ' ' LEU . 1.8 tm? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.738 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.753 0.311 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -77.17 136.3 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.2 tt -102.8 100.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.39 135.44 51.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.8 p -101.67 166.16 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 43' ' ' ILE . 2.5 mp -94.86 118.17 31.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -113.49 115.55 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.75 101.17 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.216 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.05 76.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 111.446 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 8.9 m-85 -72.61 127.38 32.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.116 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 12' ' ' LEU . 23.1 p -147.51 162.86 38.2 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.34 0.591 . . . . 0.0 111.685 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 11' ' ' THR . 8.1 mp 53.83 159.27 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.602 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -56.26 -19.26 13.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 179.081 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.482 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 2.6 p30 -89.3 11.1 19.94 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.907 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -44.85 -33.67 1.49 Allowed Pre-proline 0 CA--C 1.537 0.454 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 20.4 Cg_exo -68.87 53.58 0.8 Allowed 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.037 1.824 . . . . 0.0 112.627 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.4 75.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.153 0.501 . . . . 0.0 111.179 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER 165.36 -55.59 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.547 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -170.94 -69.47 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.38 102.68 0.28 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.821 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.445 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 57.2 Cg_endo -71.38 -166.5 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.48 2.12 . . . . 0.0 112.534 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -81.35 -43.85 18.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.004 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.715 HG21 HG21 ' A' ' 40' ' ' ILE . 10.4 p -56.13 -18.28 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.823 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.2 -53.59 10.27 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 4.5 p90 -54.78 -29.06 53.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' NZ ' HG23 ' A' ' 23' ' ' VAL . 4.4 ttpm? -72.0 -22.55 61.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.499 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.12 -27.23 59.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.96 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.84 32.82 1.99 Allowed Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.972 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.706 HD22 ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.63 -22.97 25.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.689 0.28 . . . . 0.0 111.354 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.706 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER 177.98 42.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.597 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.78 42.54 26.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.596 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.447 ' CB ' HD11 ' A' ' 29' ' ' LEU . 6.3 tttm -76.18 -65.5 0.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.917 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.66 141.74 26.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.0 mm? -101.3 162.78 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.286 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -87.08 -94.49 0.09 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.711 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.3 -71.35 0.05 OUTLIER 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.037 0.446 . . . . 0.0 110.128 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' SER . 30.2 t70 -114.68 3.01 14.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.466 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.493 ' CB ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t70 -81.72 -173.17 4.28 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.547 ' O ' HD13 ' A' ' 40' ' ' ILE . 16.2 mt-10 -159.96 153.0 21.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.715 HG21 HG21 ' A' ' 23' ' ' VAL . 26.2 mm -136.14 132.06 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 1.097 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -118.19 115.66 25.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.452 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.509 HG12 HG13 ' A' ' 53' ' ' VAL . 4.0 mt -132.48 137.31 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.545 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 6' ' ' LEU . 3.5 mp -139.7 139.75 37.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.834 0.349 . . . . 0.0 111.601 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.57 131.1 39.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.691 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.925 HD12 ' O ' ' A' ' 73' ' ' GLY . 2.7 mm -86.99 -66.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.186 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.9 -24.21 15.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.212 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.82 -62.0 3.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 t -74.99 -27.96 60.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.804 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -88.96 -61.58 1.67 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.7 p -177.07 173.77 1.78 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.921 0.391 . . . . 0.0 111.29 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -136.89 -172.82 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.682 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.7 p-80 -133.27 143.84 49.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.509 HG13 HG12 ' A' ' 42' ' ' ILE . 40.4 t -108.02 133.78 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.53 132.59 46.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.089 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -93.98 132.98 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.597 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 1.097 HD11 ' HB2' ' A' ' 41' ' ' ALA . 68.5 mt -111.54 79.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -27.32 67.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.641 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -152.32 -63.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.713 ' CE2' HD13 ' A' ' 65' ' ' ILE . 29.5 t80 51.72 86.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.224 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -100.28 124.48 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m -48.49 121.62 4.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.619 ' O ' HG22 ' A' ' 62' ' ' VAL . 14.4 p -166.5 29.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.281 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 70.62 -57.61 0.58 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.3 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.76 -37.26 68.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.795 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.713 HD13 ' CE2' ' A' ' 59' ' ' TYR . 1.8 pp -64.68 -36.32 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -69.83 -52.24 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.596 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -55.88 -29.19 59.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.09 -46.57 77.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.5 -64.79 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -47.71 -33.22 6.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.949 0.404 . . . . 0.0 110.77 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 11.4 mt-10 -63.74 -42.24 97.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.254 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.04 6.74 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.297 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.925 ' O ' HD12 ' A' ' 45' ' ' ILE . . . -89.69 -48.75 3.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.16 33.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 111.665 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 7.5 mmtp -100.04 158.4 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.4 pt -68.26 70.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.054 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -179.23 -170.08 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 61.09 91.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 110.64 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 80' ' ' THR . 10.0 t -177.57 -171.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.564 HG23 ' HB2' ' A' ' 82' ' ' LYS . 15.0 t 45.67 27.72 0.46 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.654 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.783 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER 48.47 26.3 1.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.588 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.564 ' HB2' HG23 ' A' ' 80' ' ' THR . 0.9 OUTLIER -80.34 -58.82 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.822 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 pp -54.48 -25.06 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.808 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.783 HD13 ' HA ' ' A' ' 81' ' ' LEU . 4.6 mp -73.01 -45.18 59.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.254 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 7.3 pt-20 -72.83 -13.18 61.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.41 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.89 -26.58 14.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.669 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -165.35 60.68 0.12 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.836 0.35 . . . . 0.0 111.383 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.0 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.926 0.393 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -118.44 -178.25 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.787 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.8 tp -59.35 108.46 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.74 118.65 5.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -129.67 78.46 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.28 123.15 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.11 76.56 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.733 ' O ' HD13 ' A' ' 9' ' ' ILE . . . -82.05 164.56 44.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.374 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.733 HD13 ' O ' ' A' ' 8' ' ' GLY . 26.3 mm -139.68 102.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 111.325 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CZ ' ' HA ' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -69.98 120.4 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.568 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.473 ' O ' ' O ' ' A' ' 12' ' ' LEU . 9.5 t -131.2 113.88 14.4 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.195 0.521 . . . . 0.0 111.53 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER 56.46 142.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.27 179.641 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -26.45 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.474 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.46 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 36.2 t70 -53.97 -42.57 69.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.225 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.11 103.08 20.44 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 82.5 Cg_endo -91.6 39.29 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.822 2.348 . . . . 0.0 112.674 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 1.0 OUTLIER 29.42 36.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.634 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 6.6 tp10 167.48 -70.39 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.256 0.55 . . . . 0.0 110.638 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' O ' ' HG3' ' A' ' 16' ' ' PRO . 12.3 t80 -169.4 -53.07 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.956 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpt85 -106.07 134.59 19.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 19.5 Cg_endo -61.07 105.04 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.557 2.172 . . . . 0.0 112.413 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -93.16 -21.92 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 23' ' ' VAL . 29.8 t -100.28 10.35 7.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.423 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 21' ' ' PRO . 13.7 t70 -84.1 -22.15 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.519 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -70.21 -36.95 74.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HE3' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -72.06 -27.32 62.61 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.359 179.522 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.08 -26.78 59.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.04 24.26 6.01 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.517 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.425 ' O ' HD13 ' A' ' 29' ' ' LEU . 0.1 OUTLIER -65.08 -15.27 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 111.545 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 1.2 mt-10 -137.38 50.71 1.96 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 10.4 ptmm? 48.18 41.01 15.05 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.287 0.565 . . . . 0.0 110.652 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -92.92 17.0 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.279 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.724 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER 45.59 -168.43 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.852 0.358 . . . . 0.0 111.42 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.724 HD13 ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -126.28 130.41 50.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -174.29 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -102.98 -20.88 14.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -97.23 23.28 7.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.058 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.49 98.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.802 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 40' ' ' ILE . 5.4 mm-40 -113.57 135.15 54.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 54' ' ' LEU . 4.1 mp -141.09 137.19 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.42 118.6 37.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.8 mt -101.92 113.69 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.402 HG21 ' HA3' ' A' ' 73' ' ' GLY . 11.1 mm -118.8 110.04 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.057 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.3 p -119.23 145.03 46.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.72 HD11 ' O ' ' A' ' 73' ' ' GLY . 13.5 mt -132.35 33.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.79 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.9 27.88 15.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.608 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 t -164.91 -44.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.82 -37.37 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.788 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.0 81.9 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -125.7 119.94 29.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -135.46 148.95 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.458 HG13 ' O ' ' A' ' 53' ' ' VAL . 10.7 p -147.87 122.32 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 40' ' ' ILE . 5.3 mt -103.51 172.92 6.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.989 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -124.95 118.24 25.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.98 122.39 45.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.723 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -98.62 -56.33 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.2 t -103.96 -77.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CZ ' HD12 ' A' ' 65' ' ' ILE . 3.1 t80 60.88 69.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -107.97 -21.63 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -54.9 -174.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.6 HG22 ' OE2' ' A' ' 64' ' ' GLU . 12.5 m -113.81 -148.04 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.536 ' N ' HG23 ' A' ' 62' ' ' VAL . 4.2 m-20 -46.73 -27.35 1.16 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.748 0.309 . . . . 0.0 111.537 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.6 ' OE2' HG22 ' A' ' 62' ' ' VAL . 3.1 pt-20 -52.31 -27.5 15.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.61 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.452 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 43.5 pt -109.48 -7.1 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.445 ' HB2' ' HA ' ' A' ' 63' ' ' ASP . 11.8 mtp85 -78.93 -57.97 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.909 0.385 . . . . 0.0 111.172 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -58.77 -39.71 81.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.389 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 20.8 pt-20 -62.85 -43.93 97.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.014 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 31.8 tp -73.35 -49.61 26.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.79 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.83 -49.48 65.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.8 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.99 -33.73 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.613 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 68' ' ' GLU . . . -53.3 -26.38 18.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.036 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.72 ' O ' HD11 ' A' ' 45' ' ' ILE . . . -93.98 -30.83 8.54 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.514 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.36 34.97 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 111.451 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.04 -178.76 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.401 . . . . 0.0 111.031 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.3 pt -97.19 150.73 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 77.28 -55.17 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.97 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 69.08 11.28 8.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.685 HG21 HG23 ' A' ' 83' ' ' ILE . 0.2 OUTLIER 43.84 -163.23 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.328 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 80' ' ' THR . 9.8 t -170.85 97.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 80' ' ' THR . 0.7 OUTLIER 81.79 -44.01 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.617 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -52.95 -60.24 3.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.677 0.275 . . . . 0.0 111.29 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.685 HG23 HG21 ' A' ' 79' ' ' THR . 1.8 pp -52.81 -29.82 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -45.2 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.274 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 19.9 pt-20 -72.81 -19.95 61.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.424 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.22 -28.74 10.33 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.319 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -179.09 74.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.74 0.305 . . . . 0.0 111.251 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.679 ' OXT' HD22 ' A' ' 88' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.411 ' O ' ' CG ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.778 0.323 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.482 ' O ' HG22 ' A' ' 3' ' ' ILE . 38.6 p90 43.51 57.44 3.92 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.474 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 2' ' ' PHE . 0.5 OUTLIER 70.75 138.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' H ' HD13 ' A' ' 3' ' ' ILE . . . -97.89 119.62 36.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.432 HG23 HG23 ' A' ' 3' ' ' ILE . 26.9 p -131.36 94.01 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 6' ' ' LEU . 9.7 mt -116.44 152.84 33.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.071 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HB3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -143.26 160.39 40.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.742 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.35 110.74 0.88 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.64 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 9' ' ' ILE . 18.4 tt -81.97 79.73 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.078 0.466 . . . . 0.0 110.934 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.698 ' CD1' HD11 ' A' ' 42' ' ' ILE . 21.7 m-85 -76.57 143.65 40.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.741 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 12' ' ' LEU . 9.3 t -159.9 155.91 26.4 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.298 0.57 . . . . 0.0 111.512 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER 57.2 158.0 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.287 -179.46 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -54.43 -22.26 12.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.659 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.616 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 14.2 t70 -84.92 3.96 35.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.658 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 2.4 pt? -41.56 -40.21 2.95 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 12.4 Cg_endo -54.73 71.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.07 1.847 . . . . 0.0 112.914 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.86 67.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.784 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -46.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -170.74 -86.84 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.758 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.28 150.4 43.0 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.839 0.352 . . . . 0.0 111.219 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 63.5 Cg_endo -73.34 123.65 8.87 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.863 2.375 . . . . 0.0 112.918 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -79.55 -39.05 32.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.296 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG2' HD11 ' A' ' 15' ' ' LEU . 25.9 m -74.3 -8.58 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.026 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -48.35 -31.03 5.53 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.652 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -58.83 -35.68 73.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.13 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -65.64 -28.73 69.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.883 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 33' ' ' LYS . . . -68.47 -27.4 66.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.818 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.67 24.57 5.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 29' ' ' LEU . 14.2 tp -79.83 -7.41 58.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -162.32 43.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.949 0.404 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 57.7 43.73 21.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.845 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -95.71 -12.86 24.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.224 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 8.1 mtmm 65.31 -175.65 0.18 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.904 0.383 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 34' ' ' LEU . 0.1 OUTLIER -103.15 116.84 33.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.935 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.06 124.53 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.43 -16.79 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.17 24.31 8.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.07 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.3 160.6 26.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -160.99 119.73 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 41' ' ' ALA . 18.4 mt -150.48 160.32 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -146.75 144.25 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.698 HD11 ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -123.54 131.54 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.009 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.638 HG21 ' HA3' ' A' ' 73' ' ' GLY . 13.7 mm -117.04 116.17 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.274 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.492 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 54.5 p -93.99 140.97 29.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 22.3 pt -150.84 33.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER 42.05 37.26 0.81 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.658 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.24 51.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.005 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.2 p 40.77 32.16 0.15 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.83 0.348 . . . . 0.0 111.242 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 50' ' ' SER . 17.7 mm100 -147.8 -76.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.316 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 4.8 t 149.63 75.3 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.962 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' HA ' ' A' ' 44' ' ' SER . 3.1 p-10 47.01 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.501 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -151.22 136.7 17.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.654 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' HA ' HG22 ' A' ' 42' ' ' ILE . 26.2 t -69.92 136.67 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.21 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.18 106.96 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.659 ' HB3' HD21 ' A' ' 88' ' ' LEU . 17.1 t80 -74.48 130.63 39.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.621 HD21 HD13 ' A' ' 69' ' ' LEU . 3.6 mt -109.01 113.12 25.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 t -74.19 -67.89 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -124.5 166.82 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.448 ' CE2' HG12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -167.97 88.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.01 27.53 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 m 57.08 43.26 24.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.734 ' CG2' HG23 ' A' ' 65' ' ' ILE . 28.0 m -88.34 21.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 68.31 -61.87 0.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.796 0.331 . . . . 0.0 111.351 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -47.27 -34.6 6.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.734 HG23 ' CG2' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -70.66 -23.99 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.63 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -77.95 -70.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.374 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -31.01 30.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.347 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 30.0 tp10 -65.34 -51.72 58.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.017 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.621 HD13 HD21 ' A' ' 56' ' ' LEU . 8.8 tp -69.84 -45.56 67.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.091 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.94 -47.09 74.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -78.1 -34.85 49.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 68' ' ' GLU . . . -57.05 -24.43 53.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.2 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.638 ' HA3' HG21 ' A' ' 43' ' ' ILE . . . -90.39 -43.44 4.92 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.663 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.82 32.67 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.279 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.16 157.97 36.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.504 ' H ' HD13 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -100.18 119.98 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m120 62.8 118.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -89.17 172.38 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 t -108.52 -161.27 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.714 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 t -91.54 45.08 1.21 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.606 HD23 ' O ' ' A' ' 81' ' ' LEU . 1.1 tt 55.74 23.06 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.228 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -80.07 -49.76 11.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.49 ' CD1' HD12 ' A' ' 84' ' ' LEU . 2.6 pp -56.97 -31.29 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.49 HD12 ' CD1' ' A' ' 83' ' ' ILE . 4.4 mp -70.74 -43.07 69.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.183 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.1 -24.72 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.606 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.39 -21.88 20.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.625 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -116.47 20.49 14.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.627 0.251 . . . . 0.0 111.248 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 55' ' ' PHE . 3.3 tp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.924 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 66.6 tp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.562 ' O ' HG22 ' A' ' 3' ' ' ILE . 50.7 t80 -65.05 125.52 25.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.728 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 2' ' ' PHE . 1.4 tp 50.4 121.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.986 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.64 103.76 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.938 HG22 HG22 ' A' ' 45' ' ' ILE . 40.0 p -121.14 119.21 31.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.61 137.12 20.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -108.54 120.27 41.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.26 157.96 16.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.591 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.8 mm -132.59 142.94 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 17' ' ' GLU . 1.8 m-85 -115.0 111.78 21.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.445 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.458 ' O ' ' O ' ' A' ' 12' ' ' LEU . 12.4 p -98.8 105.34 17.48 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.105 0.479 . . . . 0.0 111.289 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 11' ' ' THR . 65.0 mt 57.71 137.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.843 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -45.16 -28.1 0.71 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.659 179.571 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.452 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.3 t70 -52.5 -51.59 58.71 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.858 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.661 HD13 ' H ' ' A' ' 17' ' ' GLU . 1.2 tm? -83.87 109.41 18.45 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.382 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.531 ' HD2' HD22 ' A' ' 15' ' ' LEU . 94.2 Cg_endo -93.96 32.26 0.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.757 2.305 . . . . 0.0 113.126 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.661 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER 65.33 -45.29 0.36 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.596 179.466 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.531 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.8 tt0 179.18 -28.89 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -149.64 79.76 1.38 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.059 0.457 . . . . 0.0 111.741 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 61.49 147.16 0.08 OUTLIER Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.377 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -90.36 117.09 0.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.993 2.462 . . . . 0.0 112.607 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.31 -31.98 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.039 0.447 . . . . 0.0 110.339 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.578 HG23 ' HG2' ' A' ' 26' ' ' LYS . 9.4 p -61.34 -18.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.325 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -47.25 -39.3 14.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.561 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.469 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -62.79 -48.64 78.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.524 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.578 ' HG2' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -69.43 -19.0 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.407 179.36 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.17 -25.2 34.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.43 24.71 4.37 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.713 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -21.28 49.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.857 0.36 . . . . 0.0 111.309 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -149.88 44.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 14.9 pttp 48.42 39.89 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.36 0.6 . . . . 0.0 110.77 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -61.76 -69.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.595 ' C ' HD22 ' A' ' 34' ' ' LEU . 8.0 tttp -164.91 -171.9 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.96 0.41 . . . . 0.0 111.235 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.662 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.7 mm? -125.53 -165.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.842 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 37' ' ' ASP . 47.6 t -56.02 -115.3 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.123 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 65.2 -67.84 0.12 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.994 0.426 . . . . 0.0 109.955 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 35' ' ' SER . 2.6 p30 -135.66 14.09 3.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.623 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.51 147.08 54.01 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.847 0.356 . . . . 0.0 111.021 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -164.6 145.61 7.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 55' ' ' PHE . 1.2 tp -146.17 142.33 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 40' ' ' ILE . . . -114.84 117.65 31.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 0.0 111.313 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.622 HG22 ' HA ' ' A' ' 53' ' ' VAL . 1.5 pt -116.3 134.99 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.754 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -134.74 132.27 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 0.0 111.663 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.744 ' O ' HG23 ' A' ' 45' ' ' ILE . 76.5 p -108.6 156.4 19.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.369 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.938 HG22 HG22 ' A' ' 5' ' ' THR . 1.5 pp -168.22 65.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.897 0.379 . . . . 0.0 111.558 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 45.54 30.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.27 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.33 65.79 0.75 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.895 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.18 -63.45 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.743 0.306 . . . . 0.0 110.548 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -179.56 53.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.7 -165.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.401 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 13.1 p30 -149.4 165.37 32.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.781 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -99.69 142.61 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 40' ' ' ILE . 13.0 p -104.38 120.17 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.797 ' HG ' HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -107.86 132.59 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.801 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.802 ' HA ' HD12 ' A' ' 40' ' ' ILE . 44.0 t80 -83.48 148.07 27.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.99 92.96 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.754 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -69.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 p -177.53 61.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -121.28 132.34 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -138.42 27.36 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.736 ' O ' HG12 ' A' ' 62' ' ' VAL . 3.3 m -164.69 -160.24 0.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 61' ' ' SER . 10.0 p 54.53 141.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.157 0.503 . . . . 0.0 111.95 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.22 -27.37 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -26.87 10.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -42.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -70.62 -48.97 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -56.51 -30.74 63.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -75.83 -30.03 58.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.797 HD11 ' HG ' ' A' ' 54' ' ' LEU . 1.8 tp -77.33 -50.25 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -31.24 68.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.12 -28.44 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.72 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.14 -36.91 10.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.02 -64.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.179 0.514 . . . . 0.0 111.183 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -57.84 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 77' ' ' ASN . 31.1 mm -50.19 155.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.266 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.441 ' N ' HG22 ' A' ' 76' ' ' ILE . 55.7 p30 -85.96 -170.22 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.528 ' HA ' HD12 ' A' ' 83' ' ' ILE . 72.5 m80 -52.42 -25.48 10.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.323 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.72 89.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.861 ' O ' HD12 ' A' ' 81' ' ' LEU . 7.0 t 43.91 55.52 5.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.472 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER 44.04 37.04 1.62 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.333 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -78.5 -51.68 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.065 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 78' ' ' HIS . 31.6 mt -54.32 -38.56 40.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 81' ' ' LEU . 5.8 mt -65.58 -41.15 93.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.211 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -72.54 -13.48 61.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -92.19 -31.08 9.35 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.9 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -175.25 66.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.887 0.375 . . . . 0.0 111.579 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.424 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.972 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.796 0.331 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 t80 59.89 71.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.9 mm -68.13 124.99 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.8 94.89 9.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 p -100.45 95.68 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.444 HD11 ' OG ' ' A' ' 44' ' ' SER . 0.1 OUTLIER -110.51 99.65 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 110.65 21.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.794 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.46 132.43 10.98 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.616 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -92.1 116.24 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.755 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CZ ' HG13 ' A' ' 42' ' ' ILE . 4.2 m-30 -78.63 104.4 9.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.468 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.519 ' O ' ' O ' ' A' ' 12' ' ' LEU . 1.2 p -88.13 105.97 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.076 0.465 . . . . 0.0 111.205 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.798 HD22 ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 55.78 138.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.654 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HD3' HD12 ' A' ' 34' ' ' LEU . 1.9 ptpp? -47.09 -24.87 0.73 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.526 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 5.9 t70 -53.97 -42.11 68.6 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mp -100.86 79.7 0.23 Allowed Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.011 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.526 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 59.9 Cg_endo -71.38 54.88 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.785 2.323 . . . . 0.0 113.246 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' CG ' ' CE1' ' A' ' 10' ' ' PHE . 5.3 tm-20 61.9 -72.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.402 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.8 tm-20 -128.99 -36.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 111.621 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -169.81 -70.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.259 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -124.05 112.27 28.55 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 16' ' ' PRO . 86.0 Cg_endo -92.94 178.52 1.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.974 2.449 . . . . 0.0 112.523 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 90.1 m-85 -92.01 -28.78 16.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.615 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.714 HG11 HG21 ' A' ' 40' ' ' ILE . 7.8 m -73.2 -13.81 16.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.567 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -48.98 -37.71 21.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.758 0.314 . . . . 0.0 111.015 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.467 ' CD2' HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.88 -26.14 65.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -66.56 -37.21 84.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.95 68.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.9 28.37 4.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.437 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.618 ' O ' HD13 ' A' ' 29' ' ' LEU . 0.3 OUTLIER -77.48 -12.55 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 111.569 -179.758 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -177.99 46.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.411 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt 61.53 45.98 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -66.62 -13.39 61.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.198 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.18 160.42 0.23 Allowed 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.4 mm? -78.47 93.32 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.8 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 p -87.49 86.19 7.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.763 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.798 ' O ' HD22 ' A' ' 12' ' ' LEU . 9.8 p-10 -59.4 -20.26 53.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.49 5.54 47.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.627 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.56 157.17 19.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.92 0.391 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -146.21 159.05 43.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.714 HG21 HG11 ' A' ' 23' ' ' VAL . 28.9 mt -147.07 117.47 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.236 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' H ' HD13 ' A' ' 56' ' ' LEU . . . -84.94 127.04 34.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.724 HD13 HG23 ' A' ' 53' ' ' VAL . 28.6 mm -113.68 115.21 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.9 mm -100.1 107.43 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.444 ' OG ' HD11 ' A' ' 6' ' ' LEU . 6.5 t -95.45 109.65 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 73' ' ' GLY . 41.1 pt -151.18 -168.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.46 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.45 38.79 4.1 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.921 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 51.19 52.88 13.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 65.08 66.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -177.39 167.81 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -119.58 137.33 53.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -89.47 126.57 35.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.724 HG23 HD13 ' A' ' 42' ' ' ILE . 14.1 p -109.19 143.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 mt -141.52 120.58 12.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -76.04 134.74 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.402 HD13 ' H ' ' A' ' 41' ' ' ALA . 8.0 mp -98.67 109.59 22.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 t -96.19 -39.5 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -140.0 34.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.48 ' CZ ' HG12 ' A' ' 65' ' ' ILE . 1.6 t80 -67.19 -172.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.771 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 59' ' ' TYR . 3.1 p-10 49.2 109.24 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.854 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.93 -52.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.535 ' O ' HD12 ' A' ' 65' ' ' ILE . 4.1 m -146.42 -174.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.72 1.45 38.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -84.8 -31.1 24.06 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.072 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.858 HD13 ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -81.25 -25.51 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.736 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.858 ' N ' HD13 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -77.9 -35.93 50.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.222 179.224 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -32.87 74.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.039 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -54.01 42.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.468 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.11 -48.11 83.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.64 -33.07 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.343 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HA ' ' CD ' ' A' ' 75' ' ' LYS . 20.3 tt0 -66.55 -39.4 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.517 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.39 -5.11 53.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.433 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.511 ' O ' HD13 ' A' ' 45' ' ' ILE . . . -84.2 -65.03 1.55 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.847 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.46 -15.9 12.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.754 0.311 . . . . 0.0 111.804 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.401 ' CD ' ' HA ' ' A' ' 71' ' ' GLU . 9.4 mttp -100.12 -157.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.786 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 mt -44.04 125.97 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 120.803 0.335 . . . . 0.0 111.481 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -99.59 -175.8 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.82 ' O ' HG22 ' A' ' 80' ' ' THR . 26.5 m-70 -62.29 -59.17 5.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 78' ' ' HIS . 14.6 t 46.79 31.06 1.32 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.363 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.82 HG22 ' O ' ' A' ' 78' ' ' HIS . 1.8 t 174.94 -28.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.489 ' HB3' HD21 ' A' ' 84' ' ' LEU . 5.2 mt 74.36 23.3 2.03 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.48 ' H ' HG23 ' A' ' 80' ' ' THR . 0.6 OUTLIER -75.3 -29.37 60.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.75 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.4 -59.66 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.458 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -56.03 -35.63 67.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.166 179.254 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -66.81 -26.57 67.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.146 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.0 -32.94 62.89 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.278 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -168.57 71.67 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.91 0.386 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.692 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.552 ' N ' HD22 ' A' ' 1' ' ' LEU . 2.9 mm? . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.73 0.3 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.618 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.8 OUTLIER 67.91 -69.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 2' ' ' PHE . 4.8 mp -73.15 112.69 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.7 94.67 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.07 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -121.07 157.84 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tp -150.15 143.4 25.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.714 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -112.24 74.08 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.044 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.41 151.32 51.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.241 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.0 mt -133.0 100.48 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.325 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.764 ' CD2' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -98.51 102.55 14.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.894 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.954 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.1 t -100.3 -177.75 3.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.972 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.954 HD22 ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 46.17 152.48 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.914 0.886 . . . . 0.0 111.945 -177.852 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.76 -26.45 0.39 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.436 -178.538 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.517 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -81.59 -17.0 49.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.861 HD22 ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -9.47 73.79 0.02 OUTLIER Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 123.927 0.891 . . . . 0.0 113.299 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 14' ' ' ASP . 84.3 Cg_endo -102.76 48.89 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.378 2.719 . . . . 0.0 114.189 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HB3' ' CE1' ' A' ' 10' ' ' PHE . 0.3 OUTLIER 25.26 -93.45 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.815 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -157.06 17.94 0.3 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.731 0.301 . . . . 0.0 110.938 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -170.58 79.78 0.09 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 121.023 0.439 . . . . 0.0 110.805 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 62.62 137.73 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HG3' ' HB3' ' A' ' 16' ' ' PRO . 30.9 Cg_exo -60.79 120.65 8.48 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.496 2.131 . . . . 0.0 112.502 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.15 -29.14 12.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.647 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.717 ' HB ' HD21 ' A' ' 15' ' ' LEU . 4.7 t -92.65 -13.28 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.35 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -47.72 -32.3 5.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -60.19 -36.27 77.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.632 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -34.58 76.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.262 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.24 -29.53 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.579 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.63 17.65 23.06 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.615 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.76 -24.2 21.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.95 0.405 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -178.11 40.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.884 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm 55.9 42.66 28.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.759 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -43.99 84.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -178.12 104.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.43 52.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.08 168.2 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -81.8 0.7 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.464 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.86 25.03 7.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.68 0.276 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -83.43 134.17 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -139.46 141.44 37.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.538 HD13 HG11 ' A' ' 23' ' ' VAL . 20.1 mt -150.02 127.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.239 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.548 ' HB2' HD22 ' A' ' 56' ' ' LEU . . . -103.21 112.21 24.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.861 HG13 HG23 ' A' ' 53' ' ' VAL . 2.9 mp -107.17 125.81 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.497 ' N ' HD12 ' A' ' 43' ' ' ILE . 3.9 mp -119.49 103.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -73.09 144.05 47.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.001 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.729 HD13 ' H ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -135.51 -38.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.314 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -139.8 98.59 3.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.234 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.24 -37.43 54.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.874 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -67.2 -31.79 72.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.997 0.427 . . . . 0.0 110.155 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 46' ' ' LYS . 1.3 mm100 -77.96 -78.77 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.536 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER 163.96 37.89 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.544 179.739 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.49 ' HA ' HD13 ' A' ' 45' ' ' ILE . 10.9 m-80 48.78 -167.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.311 . . . . 0.0 111.017 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.73 92.59 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 110.636 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.861 HG23 HG13 ' A' ' 42' ' ' ILE . 8.5 p -82.72 142.8 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.367 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -143.22 130.18 20.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.778 179.741 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -69.89 146.36 51.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.095 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.548 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.7 tp -137.15 143.66 42.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.6 m -100.01 -77.04 0.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.4 p -177.97 138.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.42 -47.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.7 t30 60.67 30.83 19.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.62 149.52 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -117.57 116.85 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -78.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -85.62 -42.5 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 tt -62.83 -30.9 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -75.61 -49.37 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -31.47 69.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.38 -55.23 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -50.42 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.266 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.94 -36.81 50.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.846 0.355 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -42.91 96.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.716 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.44 -24.64 42.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.66 -59.51 10.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.59 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.52 40.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.293 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -81.29 -85.06 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.968 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.22 -82.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.222 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -166.6 160.9 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -91.32 174.34 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.454 HG21 ' HB3' ' A' ' 82' ' ' LYS . 3.1 t -123.68 52.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.9 m 62.39 -85.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.241 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.5 mt -148.72 29.0 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.746 0.308 . . . . 0.0 111.055 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.1 OUTLIER -77.27 -55.71 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.092 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 84' ' ' LEU . 37.1 pt -56.74 -31.5 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.536 HD12 HG13 ' A' ' 83' ' ' ILE . 4.7 mp -73.96 -31.83 63.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.28 -24.58 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.66 -21.26 10.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.729 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -105.99 -54.4 2.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.788 0.327 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.417 HD13 HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 1' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.892 0.377 . . . . 0.0 111.208 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 63.62 125.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tp -75.74 148.34 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 5' ' ' THR . . . -104.16 146.31 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 4' ' ' ALA . 1.2 p -164.76 136.55 4.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tp -118.98 120.38 37.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 114.62 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.22 162.18 27.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 9' ' ' ILE . 11.6 tt -117.14 123.6 72.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.222 0.534 . . . . 0.0 111.559 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.583 ' CD2' HG21 ' A' ' 23' ' ' VAL . 2.2 m-85 -114.47 111.82 22.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.231 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.84 118.93 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.745 ' N ' ' HB2' ' A' ' 38' ' ' ASP . 4.6 tp -26.2 -48.15 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.692 ' HB3' HD12 ' A' ' 34' ' ' LEU . 14.2 mmtm -100.51 -46.91 5.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.741 0.305 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.478 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 67.3 m-20 -94.59 38.55 1.1 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.915 0.388 . . . . 0.0 111.243 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.707 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 3.5 pp -85.33 -20.08 0.26 Allowed Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 81.0 Cg_endo -82.12 54.0 4.8 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 121.434 1.422 . . . . 0.0 112.999 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -31.67 -36.46 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.175 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.1 tm-20 -88.8 -58.71 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.197 0.522 . . . . 0.0 111.223 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 16' ' ' PRO . 5.4 t80 -171.26 -60.35 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.29 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.95 95.9 1.96 Allowed Pre-proline 0 C--N 1.332 -0.163 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.09 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.515 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 87.0 Cg_endo -77.04 -158.49 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.866 2.377 . . . . 0.0 112.394 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -88.68 -7.37 56.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.664 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -100.67 -7.68 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -53.88 -23.4 12.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.686 0.279 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.4 p90 -68.85 -31.72 70.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.7 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -32.78 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.639 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' LEU . . . -73.37 -18.0 61.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.957 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.74 28.63 2.73 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.826 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.11 -11.83 61.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.702 0.251 . . . . 0.0 111.438 -179.791 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -169.65 47.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.376 . . . . 0.0 111.042 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.31 46.24 7.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -68.46 -14.04 62.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.35 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.584 ' C ' HD13 ' A' ' 34' ' ' LEU . 4.8 ptpt 48.04 -176.05 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 111.449 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -117.49 119.08 33.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -100.21 -90.28 0.32 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.771 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -179.8 -27.76 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.04 22.02 2.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.057 0.455 . . . . 0.0 110.727 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.745 ' HB2' ' N ' ' A' ' 12' ' ' LEU . 4.6 p30 -53.31 93.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.318 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.547 ' C ' HD12 ' A' ' 56' ' ' LEU . 33.6 mm-40 -125.85 100.62 6.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.369 . . . . 0.0 111.28 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 10' ' ' PHE . 5.8 tt -143.53 103.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.57 160.24 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.813 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.788 HG12 HG23 ' A' ' 53' ' ' VAL . 21.1 mt -138.67 141.37 37.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.562 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.631 ' N ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -142.83 156.53 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 111.495 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 18.9 p -134.37 144.43 48.22 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.65 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 45' ' ' ILE . 3.9 mt -119.26 16.03 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.523 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? 55.9 30.36 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.57 39.65 2.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 p 57.32 20.35 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.652 0.263 . . . . 0.0 111.239 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -156.05 19.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.344 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.0 t 42.74 32.95 0.42 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.851 0.357 . . . . 0.0 111.551 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 46.6 t30 59.39 -110.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.571 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.446 ' CE1' ' OD1' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -170.54 175.94 4.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.97 0.414 . . . . 0.0 111.042 179.602 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.788 HG23 HG12 ' A' ' 42' ' ' ILE . 8.7 p -101.06 151.06 5.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.765 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.543 HD13 ' N ' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -121.37 126.87 50.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.925 0.393 . . . . 0.0 111.188 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.543 ' N ' HD13 ' A' ' 54' ' ' LEU . 15.5 t80 -93.54 110.3 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.547 HD12 ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -94.8 148.53 22.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.754 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.0 t -99.99 -32.98 10.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.39 164.3 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -124.95 136.96 54.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.927 0.394 . . . . 0.0 111.039 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.574 ' O ' HD12 ' A' ' 65' ' ' ILE . 11.0 m-20 -168.63 139.45 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.663 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m 65.81 -169.58 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.806 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 m -152.42 82.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 179.11 -52.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.02 7.03 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.468 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -118.04 -39.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.82 0.343 . . . . 0.0 110.903 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -76.25 -37.89 57.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -58.25 -46.74 85.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -43.75 69.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.29 -52.07 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -51.3 -32.82 26.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.006 0.432 . . . . 0.0 110.539 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 1.6 mt-10 -63.23 -47.31 83.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.509 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.47 ' HB1' ' NE2' ' A' ' 78' ' ' HIS . . . -64.3 -29.7 70.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -57.83 -65.08 3.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 176.05 53.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.002 0.43 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 1.3 tttm -99.85 -76.35 0.55 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.7 HG22 ' OD1' ' A' ' 77' ' ' ASN . 64.1 mt -82.72 -80.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.7 ' OD1' HG22 ' A' ' 76' ' ' ILE . 0.7 OUTLIER -177.94 25.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.605 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.47 ' NE2' ' HB1' ' A' ' 72' ' ' ALA . 0.3 OUTLIER 53.17 174.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 0.0 111.3 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.73 ' OG1' HG23 ' A' ' 83' ' ' ILE . 65.6 p -124.5 2.46 8.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.016 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.508 HG23 ' C ' ' A' ' 79' ' ' THR . 1.4 p 75.5 -68.03 0.22 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.718 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.462 ' N ' ' OG1' ' A' ' 80' ' ' THR . 19.2 mt -147.76 12.17 0.99 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -73.24 -50.79 20.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.676 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.73 HG23 ' OG1' ' A' ' 79' ' ' THR . 0.2 OUTLIER -52.44 -28.12 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.871 179.726 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -69.37 -51.2 39.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.236 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.74 -17.22 64.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.193 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.76 -35.6 13.04 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.411 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.479 ' O ' HD12 ' A' ' 88' ' ' LEU . 7.2 p80 174.61 75.61 0.0 OUTLIER 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.747 0.308 . . . . 0.0 111.208 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 87' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.917 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.677 HD13 ' N ' ' A' ' 1' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.672 0.273 . . . . 0.0 111.356 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -130.96 162.92 28.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 3' ' ' ILE . 9.1 tp -165.09 119.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.36 92.17 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.908 HG22 HG22 ' A' ' 45' ' ' ILE . 20.9 p -141.81 109.89 5.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.453 HD13 ' H ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -142.4 145.99 34.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' H ' HD13 ' A' ' 6' ' ' LEU . 1.9 ptpt -119.96 93.18 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.767 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.92 151.44 25.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.688 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.0 113.35 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.704 ' CZ ' HD12 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -108.11 112.3 24.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.375 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.535 ' OG1' HD13 ' A' ' 15' ' ' LEU . 71.5 p -102.69 120.56 40.79 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 111.81 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 58.51 139.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.08 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.711 ' CG ' ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -50.01 -25.37 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 179.358 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -46.39 88.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.176 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD13 ' OG1' ' A' ' 11' ' ' THR . 0.3 OUTLIER -80.32 111.36 21.82 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.58 0.229 . . . . 0.0 111.032 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 18' ' ' GLU . 92.1 Cg_endo -92.98 46.94 0.36 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.927 2.418 . . . . 0.0 112.379 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 7.6 tp10 63.9 -65.06 0.13 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.073 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 16' ' ' PRO . 5.8 tp10 -164.79 -29.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -170.84 91.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.897 0.38 . . . . 0.0 111.417 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.08 106.2 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.964 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' ' HB2' ' A' ' 16' ' ' PRO . 43.1 Cg_endo -95.34 159.01 1.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.022 2.481 . . . . 0.0 112.782 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -89.39 8.31 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.406 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.82 HG13 ' HD2' ' A' ' 26' ' ' LYS . 46.8 t -100.21 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.299 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -44.63 -36.7 3.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.991 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.449 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 5.6 p90 -61.77 -46.5 89.3 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.647 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.82 ' HD2' HG13 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -63.49 -24.43 67.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 0.0 110.301 179.373 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.711 ' HB1' ' CG ' ' A' ' 13' ' ' LYS . . . -72.34 -26.88 62.09 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.35 37.52 1.74 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.519 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -77.06 -5.28 48.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.585 0.231 . . . . 0.0 111.481 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.2 tp10 -161.7 45.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.005 0.431 . . . . 0.0 111.023 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 59.58 45.0 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.745 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -78.15 -19.56 53.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp 64.67 -176.63 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -113.24 98.93 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.98 -174.52 4.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' HA ' HD11 ' A' ' 12' ' ' LEU . 2.7 p30 -120.54 28.2 8.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -139.31 13.05 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.336 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.2 138.86 36.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' HD13 ' A' ' 40' ' ' ILE . 8.0 tt0 -139.15 135.18 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.694 HG21 HG11 ' A' ' 23' ' ' VAL . 18.9 mm -125.11 142.23 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.84 115.03 14.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.704 HD12 ' CZ ' ' A' ' 10' ' ' PHE . 22.1 mt -98.11 118.06 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.423 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.584 HG21 ' HA2' ' A' ' 73' ' ' GLY . 33.6 mt -113.06 97.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.795 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -105.87 152.1 23.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -179.624 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.908 HG22 HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER -140.13 -176.96 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.447 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -80.01 54.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 111.5 -179.646 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.68 14.51 55.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.467 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 p 58.19 21.08 7.69 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.745 0.307 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 175.17 39.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.25 -162.73 0.08 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.495 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.528 ' OD1' HD11 ' A' ' 45' ' ' ILE . 53.7 t30 -146.58 -115.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.265 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -121.83 153.65 38.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 111.109 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.612 HG13 ' O ' ' A' ' 53' ' ' VAL . 10.7 p -121.91 106.4 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -100.07 -171.38 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.407 ' HE1' HD22 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -166.87 151.92 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.885 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.642 HD22 ' N ' ' A' ' 56' ' ' LEU . 1.9 mm? -108.3 113.72 27.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 p -89.56 -47.58 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 p -137.66 76.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -87.55 136.43 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -104.4 -89.85 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 p 168.58 45.15 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 m -124.94 154.82 33.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.309 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.63 -28.4 67.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -44.73 83.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.9 mm -80.84 -32.89 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -63.41 -42.28 98.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -70.88 -32.89 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.39 -45.2 88.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.1 tp -75.29 -37.28 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -46.55 89.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.325 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' ALA . 7.9 pt-20 -61.84 -34.62 76.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.424 ' N ' ' HG3' ' A' ' 71' ' ' GLU . . . -81.57 -24.11 36.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.584 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -58.38 -60.28 9.23 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.69 29.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.651 0.262 . . . . 0.0 111.566 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -100.2 -73.3 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.188 0.518 . . . . 0.0 110.766 179.64 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 tp -100.13 137.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.023 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -66.48 170.57 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.806 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.49 71.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.587 ' C ' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER -92.67 145.63 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.587 HG23 ' C ' ' A' ' 79' ' ' THR . 1.4 p 81.83 -36.66 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.483 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 64.38 15.36 9.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 85' ' ' GLU . 13.1 mtpt -77.59 -22.89 50.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' CD2' ' A' ' 87' ' ' HIS . 8.7 pt -74.08 -33.18 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 110.261 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -69.23 -45.08 70.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.203 179.354 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -73.55 -12.16 60.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.385 179.052 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.07 -29.48 9.0 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.41 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 83' ' ' ILE . 4.7 p80 -104.19 -30.18 10.36 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.813 0.34 . . . . 0.0 110.956 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . 12.1 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 t80 62.85 145.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.2 mp -59.26 103.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.13 97.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.69 86.48 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 6' ' ' LEU . 5.3 tp -60.05 129.91 44.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -141.63 72.64 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.0 135.48 15.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.28 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 mt -104.52 130.64 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.085 0.469 . . . . 0.0 111.399 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.704 ' CE2' HG22 ' A' ' 23' ' ' VAL . 3.1 m-85 -104.31 122.93 46.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.273 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.733 ' O ' HD12 ' A' ' 12' ' ' LEU . 9.9 t -100.83 146.07 27.76 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 11' ' ' THR . 0.9 OUTLIER 38.33 -145.73 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.494 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' H ' ' HB2' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -87.65 -43.19 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.703 0.287 . . . . 0.0 111.174 -179.33 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' PRO . 1.5 t70 -56.52 -23.13 37.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.042 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.693 HD21 HD12 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -13.5 78.28 0.02 OUTLIER Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.588 ' O ' ' N ' ' A' ' 18' ' ' GLU . 93.8 Cg_endo -98.08 47.53 0.09 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 122.86 2.373 . . . . 0.0 113.255 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 1.6 tt0 44.53 -82.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.216 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 16' ' ' PRO . 25.1 tt0 -162.48 31.3 0.11 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.168 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.91 -61.03 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.362 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HG3' ' HD2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -149.94 151.96 33.29 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-O 120.72 0.295 . . . . 0.0 111.295 -179.568 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 24.4 Cg_exo -63.55 114.46 2.55 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.975 2.45 . . . . 0.0 112.607 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.21 -61.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.704 HG22 ' CE2' ' A' ' 10' ' ' PHE . 35.4 m -71.23 -9.41 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.65 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -48.49 -27.93 3.01 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.878 0.37 . . . . 0.0 110.665 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -60.23 -37.59 80.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.391 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HG3' HD12 ' A' ' 29' ' ' LEU . 16.9 tttm -59.67 -41.22 90.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.57 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.44 70.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.475 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.55 11.08 56.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.67 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 ' HG3' ' A' ' 26' ' ' LYS . 4.6 mt -50.57 -24.94 3.58 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.88 0.372 . . . . 0.0 111.345 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 6.9 pt-20 -176.28 43.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.042 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER 47.4 40.22 10.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.643 -179.784 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -54.04 -66.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.204 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -164.07 106.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.35 78.85 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 t -89.12 164.69 14.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -98.53 -15.5 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.6 25.83 11.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.178 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.35 171.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.772 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -155.96 116.86 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.232 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.693 HD12 HD21 ' A' ' 15' ' ' LEU . 18.7 mt -137.21 160.91 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.496 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -152.27 137.93 17.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.961 0.41 . . . . 0.0 111.86 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.748 HD12 HG22 ' A' ' 53' ' ' VAL . 22.7 mm -109.47 127.1 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.536 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.776 HG22 HD11 ' A' ' 45' ' ' ILE . 31.1 mt -111.46 123.48 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 111.76 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.603 ' C ' HD12 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -130.78 142.67 50.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.016 179.434 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.776 HD11 HG22 ' A' ' 43' ' ' ILE . 3.7 mp -145.97 66.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.372 . . . . 0.0 111.634 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.43 29.44 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.07 56.7 3.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.271 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 25.7 p 47.34 70.93 0.36 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 48' ' ' THR . 13.5 pt20 45.73 52.77 9.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.016 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.19 154.91 42.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -148.9 -177.29 5.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.768 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -124.97 130.67 52.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.748 HG22 HD12 ' A' ' 42' ' ' ILE . 28.1 t -108.27 99.22 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -109.47 145.64 35.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.038 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -99.87 132.83 44.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -108.65 128.92 55.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.94 35.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.3 p 63.21 135.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.988 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -159.39 28.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 45.49 -169.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.441 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.16 132.0 39.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.596 HG13 ' HB2' ' A' ' 64' ' ' GLU . 13.5 p -179.09 160.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.514 ' N ' HG22 ' A' ' 62' ' ' VAL . 3.7 p30 -53.33 -22.88 7.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.603 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.596 ' HB2' HG13 ' A' ' 62' ' ' VAL . 9.0 mm-40 -59.57 -50.64 73.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' ' CE1' ' A' ' 59' ' ' TYR . 3.3 pt -64.8 -24.55 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.303 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' N ' HG13 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -77.81 -34.48 52.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.686 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -86.82 -37.84 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -56.0 26.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.2 -51.19 64.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.745 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.17 -31.08 63.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.546 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 4.5 mm-40 -66.33 -44.21 83.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.419 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' CE1' ' A' ' 78' ' ' HIS . . . -77.49 -25.22 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.055 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.516 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -57.05 -59.22 11.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.19 58.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 111.217 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -95.77 177.95 5.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.947 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.478 HD13 ' N ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -56.42 117.82 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.421 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 t30 54.93 104.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.363 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.4 ' CE1' ' O ' ' A' ' 72' ' ' ALA . 23.0 t-80 -142.21 77.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.1 t -177.31 37.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.968 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 82' ' ' LYS . 2.1 t -111.12 -17.32 13.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tp 66.96 18.46 10.6 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.497 ' H ' HG23 ' A' ' 80' ' ' THR . 14.8 mmtt -78.88 -55.62 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.771 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 pt -55.49 -33.62 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.781 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.31 -36.52 77.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.125 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.67 -13.97 60.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.626 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.51 -29.75 7.26 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.851 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 3.8 p-80 -111.89 -33.53 6.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.757 0.313 . . . . 0.0 111.089 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 87' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.781 0.324 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.1 t80 61.37 105.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.882 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER 48.54 -175.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.624 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ALA . . . . . 0.636 ' N ' HG23 ' A' ' 3' ' ' ILE . . . -148.83 81.89 1.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.1 p -101.81 81.88 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.17 127.7 43.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.542 ' NZ ' ' HB1' ' A' ' 41' ' ' ALA . 17.7 tptt -107.63 110.88 22.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.94 168.2 13.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.435 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 tt -154.65 131.32 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.279 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 17' ' ' GLU . 3.5 m-85 -104.15 138.89 39.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.639 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.706 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -108.72 105.73 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.985 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.706 HD23 ' C ' ' A' ' 11' ' ' THR . 1.0 OUTLIER 49.24 132.62 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.526 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -31.65 0.08 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.673 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.55 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.1 t70 -55.55 -40.31 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.54 95.91 4.8 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.15 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 65.1 Cg_endo -86.63 69.62 4.24 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.686 2.257 . . . . 0.0 112.501 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 4.5 tp10 64.95 -65.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.054 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' PRO . 38.2 tt0 -165.75 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -150.56 -84.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -72.22 129.3 87.8 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.675 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -87.73 116.35 1.08 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.924 2.416 . . . . 0.0 112.158 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.477 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -100.15 -70.16 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.127 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 40' ' ' ILE . 12.3 p -53.1 -19.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.793 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -44.29 -36.61 2.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 6.8 p90 -65.23 -33.67 76.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.674 0.273 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -71.78 -30.29 65.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.96 0.409 . . . . 0.0 110.264 179.505 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.93 61.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.54 25.05 5.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.617 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.66 -17.47 55.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 111.207 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.69 39.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.019 0.438 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.27 42.09 31.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HD3' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -79.11 142.39 36.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.903 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.813 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -115.78 110.61 19.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.813 HD13 ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -119.81 151.44 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -168.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.39 80.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -170.19 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.051 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -48.8 95.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.427 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -108.73 125.65 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.679 HD12 ' CE1' ' A' ' 55' ' ' PHE . 3.4 mm -108.48 163.52 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.215 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' HB1' ' NZ ' ' A' ' 7' ' ' LYS . . . -136.2 119.27 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.0 mt -102.3 125.56 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.681 HG22 ' CD1' ' A' ' 45' ' ' ILE . 37.6 mt -128.57 137.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.81 129.1 27.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.681 ' CD1' HG22 ' A' ' 43' ' ' ILE . 4.8 mp -145.53 73.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.567 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.35 -81.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.3 37.96 1.8 Allowed Glycine 0 C--N 1.334 0.425 0 C-N-CA 121.232 -0.509 . . . . 0.0 112.907 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.3 43.51 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 110.525 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 68.59 66.4 0.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.818 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.6 p -161.1 -174.56 4.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -153.83 144.57 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -90.78 159.89 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.9 t -137.45 141.48 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -137.75 130.79 30.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.679 ' CE1' HD12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -92.84 112.42 24.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -91.11 86.37 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.816 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -30.15 60.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.82 93.72 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.49 ' CZ ' ' HB ' ' A' ' 65' ' ' ILE . 6.1 t80 -105.04 91.89 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.709 ' O ' HG21 ' A' ' 65' ' ' ILE . 7.6 p30 -123.44 -178.08 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.78 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p 60.69 -179.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' HA ' ' CG1' ' A' ' 65' ' ' ILE . 5.9 m -146.53 178.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t0 74.7 -57.22 0.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.498 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -40.3 25.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.361 . . . . 0.0 110.949 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.709 HG21 ' O ' ' A' ' 60' ' ' ASN . 2.5 pp -61.18 -32.17 52.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -75.82 -43.67 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.004 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -74.41 -37.2 63.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.53 -40.81 92.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.805 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' HA ' HD12 ' A' ' 69' ' ' LEU . 4.0 tp -71.86 -44.26 64.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.737 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.71 -38.22 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.738 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 3.7 tt0 -68.17 -43.02 79.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.742 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB1' ' HE2' ' A' ' 78' ' ' HIS . . . -85.19 10.03 13.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.644 ' O ' HD13 ' A' ' 45' ' ' ILE . . . -97.95 -59.08 0.96 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.731 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.16 -2.76 6.98 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -77.67 -157.19 0.09 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.119 -0.233 . . . . 0.0 110.616 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 77' ' ' ASN . 3.0 mt -44.62 159.15 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-O 120.772 0.32 . . . . 0.0 111.373 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.507 ' N ' HG22 ' A' ' 76' ' ' ILE . 36.0 m-80 -78.87 56.64 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.283 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.467 ' HE2' ' HB1' ' A' ' 72' ' ' ALA . 23.9 m170 45.01 29.65 0.49 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.533 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.662 HG23 ' N ' ' A' ' 80' ' ' THR . 0.6 OUTLIER 45.38 -166.03 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.662 ' N ' HG23 ' A' ' 79' ' ' THR . 10.1 t -69.54 62.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 111.4 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.915 HD23 HD13 ' A' ' 84' ' ' LEU . 3.8 mt 44.63 27.77 0.27 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.942 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.05 -42.01 27.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.819 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 84' ' ' LEU . 12.0 tt -57.9 -41.21 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.701 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.915 HD13 HD23 ' A' ' 81' ' ' LEU . 4.6 mp -63.41 -43.34 97.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.093 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.75 -19.69 65.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.502 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.8 -32.78 23.29 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.691 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -171.19 68.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.857 0.361 . . . . 0.0 111.321 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.985 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 1' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.867 0.365 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.453 ' CD2' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -168.49 150.09 4.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.581 HD12 ' N ' ' A' ' 3' ' ' ILE . 1.8 mp 62.2 112.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.08 97.42 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.031 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.89 144.26 52.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.38 140.13 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . 0.608 ' HA ' HG22 ' A' ' 43' ' ' ILE . 6.8 mtpt -148.74 136.97 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.89 136.61 5.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.575 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.06 105.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.784 ' HB3' HD13 ' A' ' 15' ' ' LEU . 3.3 m-85 -100.06 137.37 38.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.77 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 14' ' ' ASP . 3.1 p -103.49 114.99 29.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.887 HD13 ' CB ' ' A' ' 38' ' ' ASP . 9.0 tp -2.4 -79.01 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' NZ ' ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -72.54 -43.98 62.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.358 -179.104 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' THR . 12.2 m-20 -91.5 38.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.223 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.059 HD12 HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -47.07 -62.6 1.89 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.943 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' HB3' ' HA ' ' A' ' 21' ' ' PRO . 90.0 Cg_endo -78.18 50.7 3.42 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.758 2.305 . . . . 0.0 113.159 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -40.38 -31.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.235 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 26.4 mt-10 -65.56 -68.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.829 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' N ' ' CD1' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -170.89 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.576 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 12.7 tpt85 -53.78 130.32 56.25 Favored Pre-proline 0 CA--C 1.531 0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.805 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 31.9 Cg_endo -93.15 108.94 0.19 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.282 2.655 . . . . 0.0 112.67 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -100.45 -81.91 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.257 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 1.059 HG13 HD12 ' A' ' 15' ' ' LEU . 3.1 p -72.06 -7.72 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.578 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 1.3 p-10 -51.14 -28.16 10.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.905 0.383 . . . . 0.0 110.006 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 23' ' ' VAL . 5.3 p90 -54.09 -37.71 64.54 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.014 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -44.53 67.52 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.332 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB1' ' NZ ' ' A' ' 13' ' ' LYS . . . -60.03 -27.68 67.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.074 0.464 . . . . 0.0 109.963 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.63 32.34 4.87 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.107 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.661 HD23 ' O ' ' A' ' 29' ' ' LEU . 1.3 tt -71.73 52.76 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER 85.26 62.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.305 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 tptp 61.23 45.95 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.093 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -65.52 -66.04 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.538 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' C ' HD13 ' A' ' 34' ' ' LEU . 3.4 tptp -176.87 122.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.581 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.624 ' H ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -107.48 42.48 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.106 0.479 . . . . 0.0 110.89 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' ASP . 31.4 t -100.41 94.84 6.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.512 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.77 83.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.968 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 3.6 m-20 -170.26 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.914 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.887 ' CB ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -45.7 140.11 3.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.182 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HG2' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -100.33 133.45 44.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.282 -179.644 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.527 HD12 HD21 ' A' ' 15' ' ' LEU . 33.6 mt -147.96 125.94 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.823 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.04 142.38 51.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.918 0.39 . . . . 0.0 111.424 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.797 HG13 HG23 ' A' ' 53' ' ' VAL . 4.1 mp -122.93 134.84 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.787 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 7' ' ' LYS . 33.0 pt -139.11 155.83 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 111.546 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -119.52 165.44 14.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.477 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 73' ' ' GLY . 9.9 pt -149.6 41.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 111.554 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.61 25.44 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' C ' HG23 ' A' ' 48' ' ' THR . . . -67.83 73.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 49' ' ' GLN . 1.7 p 69.21 -63.25 0.38 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.647 0.261 . . . . 0.0 110.758 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' N ' ' OG1' ' A' ' 48' ' ' THR . 1.4 tt0 179.24 59.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.6 p -169.87 -174.46 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.58 165.23 31.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -113.87 135.01 54.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.797 HG23 HG13 ' A' ' 42' ' ' ILE . 12.2 p -100.54 128.26 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mt -126.28 133.59 51.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.92 133.26 35.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.639 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD12 ' HG2' ' A' ' 39' ' ' GLU . 14.9 mt -92.57 79.54 4.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.947 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -75.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.77 76.02 4.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.957 ' CD2' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -126.79 94.93 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -137.17 -62.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.4 p -88.32 132.11 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.2 m -61.3 179.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.13 -66.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.18 -28.87 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.957 HD12 ' CD2' ' A' ' 59' ' ' TYR . 26.4 pt -95.99 -38.8 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -60.81 -49.1 78.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -66.0 -31.89 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.18 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 tp -65.44 -50.73 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.25 -33.43 58.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 0.0 110.544 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 17.3 mt-10 -62.96 -43.25 99.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.345 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.28 -20.33 51.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.067 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.529 ' O ' HG21 ' A' ' 45' ' ' ILE . . . -60.32 -65.62 3.24 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.65 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.39 50.2 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.948 0.404 . . . . 0.0 111.484 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.02 159.08 15.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.862 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.505 ' H ' HD12 ' A' ' 76' ' ' ILE . 3.3 mp -56.09 129.84 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.242 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.77 96.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -101.94 -31.46 10.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.676 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -58.03 -82.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.709 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' THR . 0.1 OUTLIER 50.18 -65.21 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.317 0.647 . . . . 0.0 112.284 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.676 ' N ' ' O ' ' A' ' 79' ' ' THR . 0.3 OUTLIER 80.17 -11.3 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.145 -178.762 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -53.41 6.54 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.232 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.1 -34.24 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.013 0.435 . . . . 0.0 110.263 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 tp -66.49 -36.52 82.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.153 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.68 -28.08 67.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.623 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -111.4 13.65 28.02 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.828 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -113.34 -35.66 5.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.797 0.332 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 88' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.69 0.281 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -133.18 16.36 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.291 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mt 52.6 85.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.776 0.322 . . . . 0.0 111.302 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.41 107.65 18.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.4 p -78.51 108.69 12.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 102.74 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -98.46 118.67 35.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.788 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.47 112.89 2.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.66 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -90.29 78.74 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.648 ' CE2' HD12 ' A' ' 42' ' ' ILE . 6.7 m-30 -94.19 87.67 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.2 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.7 t -106.18 158.24 16.98 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.52 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER 39.49 -166.49 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.807 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.532 ' NZ ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -57.86 -22.66 49.18 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.822 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.486 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 8.2 t70 -86.63 16.12 4.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.305 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 16' ' ' PRO . 3.9 pp -70.41 -24.22 0.75 Allowed Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.747 ' N ' HD12 ' A' ' 15' ' ' LEU . 76.6 Cg_exo -54.39 59.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.483 2.122 . . . . 0.0 113.878 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 15' ' ' LEU . 2.8 tp10 31.28 36.13 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.136 0.574 . . . . 0.0 112.446 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' PRO . 2.6 tm-20 46.9 27.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.301 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 55.7 m-85 -159.0 -79.63 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.35 126.38 27.65 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.005 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.429 ' CA ' ' HB3' ' A' ' 16' ' ' PRO . 18.4 Cg_exo -66.12 112.47 2.3 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.569 2.18 . . . . 0.0 112.635 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.03 -67.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.418 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.805 HG13 HD11 ' A' ' 42' ' ' ILE . 13.5 m -81.28 -3.63 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.179 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.59 -24.37 60.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.801 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 1.7 p90 -65.26 -37.85 88.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.491 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -64.25 -26.21 68.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.482 179.509 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -30.07 66.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.61 27.25 5.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.685 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.85 ' O ' HD13 ' A' ' 29' ' ' LEU . 3.3 tm? -80.07 -18.72 49.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.727 0.299 . . . . 0.0 111.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 1.2 tt0 -149.35 39.1 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.146 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 44.08 38.13 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.826 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HD2' HD12 ' A' ' 34' ' ' LEU . 1.1 tmtp? -51.09 -26.14 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.245 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.713 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER 63.21 123.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.116 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.713 HD13 ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -156.68 149.44 23.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.666 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 t -100.2 -81.92 0.46 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -142.79 18.68 1.99 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.222 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.99 -18.94 16.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.988 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 88.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.005 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.709 ' HB3' HD12 ' A' ' 56' ' ' LEU . 4.2 tt0 -98.51 121.18 40.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG21 HG21 ' A' ' 23' ' ' VAL . 11.2 mm -119.5 150.66 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.7 113.22 4.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.805 HD11 HG13 ' A' ' 23' ' ' VAL . 15.1 mt -98.42 112.52 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 mt -105.14 134.09 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.805 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . 0.456 ' HB3' ' HA ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -153.82 125.13 7.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.243 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ILE . . . . . 0.605 HD11 ' O ' ' A' ' 73' ' ' GLY . 3.7 mp -81.58 -29.32 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.257 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -129.88 -175.07 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.104 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.76 -23.27 3.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.784 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.9 t -103.5 -27.39 12.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -102.98 -71.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.04 141.33 40.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.947 0.403 . . . . 0.0 111.181 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 44' ' ' SER . 8.8 t-20 -179.96 75.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.46 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -118.39 154.75 31.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.411 . . . . 0.0 111.49 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.445 HG13 ' O ' ' A' ' 53' ' ' VAL . 7.1 p -130.36 121.85 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.808 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 mt -100.21 155.31 17.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.978 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -113.56 140.26 48.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.788 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -145.79 132.18 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -88.54 -55.71 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.59 148.47 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CE2' HD13 ' A' ' 65' ' ' ILE . 10.2 t80 -137.8 139.18 39.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -142.08 -171.82 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.639 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.6 p -103.62 109.82 21.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.688 ' CG2' HG23 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -151.04 19.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.657 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.17 -58.11 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.723 0.297 . . . . 0.0 111.644 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -58.17 -41.98 85.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.966 0.413 . . . . 0.0 110.686 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.786 HD12 ' N ' ' A' ' 66' ' ' ARG . 2.1 pp -52.06 -46.01 42.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.086 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.786 ' N ' HD12 ' A' ' 65' ' ' ILE . 5.7 ptm180 -81.82 -36.3 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -59.54 -35.66 74.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.48 -44.05 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.25 -53.97 50.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.36 -36.42 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.46 -29.24 46.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.27 69.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLY . . . . . 0.605 ' O ' HD11 ' A' ' 45' ' ' ILE . . . -90.19 -31.29 10.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.537 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.68 54.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.031 0.443 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -169.36 0.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.996 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mt -84.9 -61.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.233 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -105.95 -25.82 11.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 64.52 -176.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t 43.24 92.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.462 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.513 HG21 ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -122.3 -56.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.67 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 80' ' ' THR . 11.3 mt 71.73 -42.62 0.54 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.936 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -54.06 -44.56 71.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.592 0.234 . . . . 0.0 111.359 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.513 ' CD1' HG21 ' A' ' 80' ' ' THR . 10.5 pt -61.3 -35.14 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.373 . . . . 0.0 110.602 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.0 -34.45 78.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.301 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -24.16 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.509 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.11 -31.74 37.82 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.693 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -132.05 34.58 3.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 111.349 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.971 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.591 ' N ' HD22 ' A' ' 1' ' ' LEU . 1.8 mm? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.829 0.347 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -58.16 169.39 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.99 124.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.55 108.38 19.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.0 167.85 11.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.61 90.72 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -112.11 154.08 26.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.33 164.83 38.2 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.641 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.3 mp -115.56 111.59 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.906 0.384 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 3.4 m-30 -109.52 111.32 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.813 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.421 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -76.54 133.69 39.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.348 179.578 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.749 HD22 HG13 ' A' ' 40' ' ' ILE . 2.0 mm? -45.08 -31.53 1.41 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.688 0.28 . . . . 0.0 111.583 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CE ' ' HB3' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.05 -66.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.655 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.29 48.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 24' ' ' ASP . 46.5 mt -50.52 -47.57 83.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.549 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PRO . . . . . 0.547 ' HD3' ' HB2' ' A' ' 15' ' ' LEU . 8.2 Cg_endo -89.26 47.76 1.08 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.814 2.343 . . . . 0.0 112.608 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.9 tt0 -16.65 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.988 0.805 . . . . 0.0 112.145 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 2.1 mm-40 -77.52 -68.12 0.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.722 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.609 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 94.7 m-85 -168.62 -63.22 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -40.72 100.6 0.22 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.476 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.1 99.35 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.937 2.425 . . . . 0.0 112.449 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.22 -72.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.723 HG23 HD13 ' A' ' 15' ' ' LEU . 3.7 m -65.74 -7.01 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.849 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.791 ' HA ' HD12 ' A' ' 15' ' ' LEU . 17.6 p-10 -48.03 -28.91 3.08 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.043 0.449 . . . . 0.0 110.572 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.5 p90 -63.16 -30.19 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.642 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -69.54 -31.03 68.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.469 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.68 ' HB2' HD12 ' A' ' 12' ' ' LEU . . . -76.6 -13.56 60.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.863 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.69 26.7 2.38 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.802 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' TYR . 1.4 pt? -66.54 -14.2 62.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.74 0.305 . . . . 0.0 111.445 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -171.41 66.54 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.664 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 1.8 pttp 51.47 37.49 19.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.322 0.582 . . . . 0.0 110.788 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.709 ' O ' HD22 ' A' ' 34' ' ' LEU . 41.3 tttt -99.45 28.82 4.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.8 tttp -78.28 88.34 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.709 HD22 ' O ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -93.26 -173.74 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.806 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.27 -173.09 2.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -59.62 90.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.818 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -161.85 -43.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.421 ' HB3' ' CG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -82.68 157.42 23.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.902 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.471 ' N ' HD23 ' A' ' 12' ' ' LEU . 17.0 mt-10 -149.52 169.64 20.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.749 HG13 HD22 ' A' ' 12' ' ' LEU . 19.8 mt -136.09 159.92 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.271 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -128.37 113.14 15.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.797 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.498 ' H ' HD13 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -106.74 135.5 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.252 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 mt -138.83 125.28 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.82 118.33 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.4 mm -81.07 -37.91 16.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -165.38 119.63 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.661 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.9 -29.1 61.48 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.605 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.3 m -83.24 -28.4 29.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -82.71 -67.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.15 165.33 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -114.57 168.54 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 34.4 m80 -137.47 142.46 41.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 53' ' ' VAL . 11.8 p -134.34 121.93 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.5 mt -132.44 143.28 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -107.44 145.44 32.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 41' ' ' ALA . 9.9 mt -106.23 119.94 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -42.52 60.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.46 -82.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.5 t80 49.7 94.03 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.173 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -148.48 98.79 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.644 ' O ' HG13 ' A' ' 62' ' ' VAL . 23.1 t 57.4 81.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 61' ' ' SER . 1.8 m -162.81 119.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.82 -27.05 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.36 -58.07 9.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.44 HD12 HG21 ' A' ' 62' ' ' VAL . 29.7 mt -65.7 -35.88 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -61.54 -37.82 85.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -83.96 -31.09 25.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -68.56 -54.29 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.5 -51.45 69.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -52.82 -28.74 24.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.586 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 75' ' ' LYS . 2.5 mt-10 -67.67 -45.47 75.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -15.25 63.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.287 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.1 -67.26 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.815 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.33 -6.02 12.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -100.01 -145.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.587 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.6 mt -40.0 134.39 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.834 0.35 . . . . 0.0 111.562 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -55.58 177.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.494 ' O ' HG23 ' A' ' 83' ' ' ILE . 11.7 m80 -81.11 -24.6 37.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 p 59.02 54.4 5.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 p 57.79 -164.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.62 -4.79 36.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.474 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -48.61 -31.7 7.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.712 0.291 . . . . 0.0 111.208 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 78' ' ' HIS . 6.0 pt -63.87 -33.68 63.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.747 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.46 HD12 HG13 ' A' ' 83' ' ' ILE . 4.0 mp -66.08 -40.64 90.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.172 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -25.31 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.342 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.28 -35.72 47.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.516 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 p-80 -177.14 76.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.484 ' OXT' HD13 ' A' ' 88' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.952 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.2 t80 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.796 0.332 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.25 135.07 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.7 95.01 4.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 p -134.03 142.04 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.28 109.42 10.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -103.57 140.12 37.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.75 148.62 20.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.402 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.7 mt -108.27 92.91 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.988 0.423 . . . . 0.0 111.201 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.574 ' HD2' HD12 ' A' ' 15' ' ' LEU . 3.6 m-85 -89.38 119.55 29.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.7 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.613 ' O ' HD12 ' A' ' 12' ' ' LEU . 3.9 p -143.65 162.71 35.23 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.599 0.714 . . . . 0.0 112.355 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 45.35 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.805 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE2' HD22 ' A' ' 34' ' ' LEU . 25.3 mmtp -72.51 -18.41 61.66 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.592 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.402 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 21.5 t70 -89.08 15.47 8.67 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.637 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.611 ' CD1' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -59.27 -31.02 8.63 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 33.3 Cg_exo -62.06 64.57 0.12 Allowed 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.345 2.03 . . . . 0.0 112.934 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 16' ' ' PRO . 10.7 mt-10 -20.64 97.29 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.931 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 0.6 OUTLIER 79.87 -62.36 0.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.182 -179.698 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 4.6 m-85 -171.43 37.95 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.586 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -112.97 76.64 2.33 Favored Pre-proline 0 C--N 1.33 -0.263 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.46 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.3 55.72 5.48 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.617 2.212 . . . . 0.0 112.388 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -74.0 -68.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.65 ' CG1' HG11 ' A' ' 53' ' ' VAL . 3.5 m -62.31 -13.81 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.774 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -46.26 -30.11 1.89 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.869 0.366 . . . . 0.0 110.966 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -61.11 -34.8 75.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.13 79.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.43 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.756 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.03 18.12 11.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.573 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.94 HD13 ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -57.54 -20.63 33.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.786 0.327 . . . . 0.0 111.458 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.94 ' N ' HD13 ' A' ' 29' ' ' LEU . 16.5 tt0 -179.73 45.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.43 46.12 7.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.775 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -68.65 -168.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -59.45 127.83 34.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.426 HD22 ' HE2' ' A' ' 13' ' ' LYS . 18.2 mt -144.71 54.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -100.22 39.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.65 22.52 6.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.15 24.86 5.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.901 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.7 86.8 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.597 ' CB ' HG22 ' A' ' 11' ' ' THR . 7.0 pt-20 -97.62 125.68 42.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.312 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.17 129.63 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.67 123.99 35.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.524 HG12 HG12 ' A' ' 53' ' ' VAL . 28.5 mt -118.8 120.67 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.877 HD13 ' HA2' ' A' ' 73' ' ' GLY . 2.6 mt -127.44 127.26 68.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 p -107.02 121.68 44.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.781 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.0 pt -120.15 179.37 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 65.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.89 50.82 0.79 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.75 43.94 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.035 0.445 . . . . 0.0 110.758 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 66.38 67.39 0.45 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.6 m -163.92 -174.26 3.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -158.68 -178.51 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -142.35 160.28 40.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.65 HG11 ' CG1' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -114.2 168.19 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.484 ' CD2' HD21 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -156.16 114.16 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.535 ' HB3' HD11 ' A' ' 88' ' ' LEU . 20.7 t80 -71.59 132.1 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.715 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 59' ' ' TYR . 7.0 mp -117.41 135.47 53.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.9 m -99.71 -33.98 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.751 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -166.17 114.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.553 ' HB2' HD23 ' A' ' 56' ' ' LEU . 72.9 t80 -110.05 -24.78 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.064 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -73.2 103.02 3.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 t -167.87 -81.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 64' ' ' GLU . 4.3 p -163.62 177.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.058 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.711 ' H ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -42.94 -25.92 0.12 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.791 ' H ' HG13 ' A' ' 62' ' ' VAL . 1.8 tm-20 -41.79 -32.36 0.39 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.492 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -110.5 -20.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.721 0.296 . . . . 0.0 111.33 179.489 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.7 ttm-85 -57.91 -51.52 69.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.891 0.377 . . . . 0.0 110.709 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -76.67 -31.61 57.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.672 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.86 -36.92 85.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tp -78.78 -39.05 36.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.687 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.16 -43.89 78.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.999 0.428 . . . . 0.0 110.555 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.86 -45.8 63.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.252 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.11 -24.33 25.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.061 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.877 ' HA2' HD13 ' A' ' 43' ' ' ILE . . . -81.96 -37.17 16.58 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.596 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.94 72.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.824 0.345 . . . . 0.0 111.387 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -100.0 -168.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.776 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 77' ' ' ASN . 6.9 tp -86.21 -44.83 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.802 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.479 ' N ' HG23 ' A' ' 76' ' ' ILE . 1.5 m120 -85.7 -88.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.257 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 57.06 175.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.794 0.33 . . . . 0.0 110.968 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.52 30.89 19.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -100.77 -27.67 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.513 HD12 HD13 ' A' ' 84' ' ' LEU . 2.9 tp 77.27 -0.46 2.88 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.576 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -61.72 1.93 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.729 0.3 . . . . 0.0 110.669 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 pt -54.81 -29.92 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.445 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.513 HD13 HD12 ' A' ' 81' ' ' LEU . 1.2 mt -68.92 -36.91 78.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.063 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -29.83 70.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.46 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.99 -27.21 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.425 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.1 -52.17 4.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 55' ' ' PHE . 4.1 mm? . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.175 0 CA-C-O 120.684 0.278 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 mm -74.88 140.51 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.37 93.43 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -98.57 74.36 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.596 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.54 153.09 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.66 75.92 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.16 107.52 2.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 pt -73.13 82.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 111.374 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.887 ' HB3' HD12 ' A' ' 15' ' ' LEU . 2.2 m-30 -69.94 135.34 49.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.448 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.723 HG22 ' HG2' ' A' ' 39' ' ' GLU . 64.7 p -138.56 146.78 42.26 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.762 0.792 . . . . 0.0 112.798 -178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' A' ' 14' ' ' ASP . 0.6 OUTLIER 41.38 -164.31 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.701 179.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -21.07 64.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.294 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.55 ' HB2' HD11 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -86.7 14.36 7.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.371 . . . . 0.0 110.96 179.378 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.012 HD23 ' HD3' ' A' ' 16' ' ' PRO . 1.3 pt? -68.11 -18.63 0.43 Allowed Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 1.012 ' HD3' HD23 ' A' ' 15' ' ' LEU . 3.8 Cg_exo -79.23 53.82 4.89 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 121.729 1.619 . . . . 0.0 112.52 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.69 80.83 1.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.714 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -178.41 -31.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.457 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -166.52 -79.33 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.175 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.18 172.46 5.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.964 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HA ' ' CG ' ' A' ' 16' ' ' PRO . 85.5 Cg_exo -45.62 92.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.677 2.252 . . . . 0.0 112.692 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 23.1 t80 -85.78 -75.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.761 ' CG2' HD11 ' A' ' 15' ' ' LEU . 29.3 m -62.38 -14.29 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.256 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -47.24 -28.3 1.86 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.981 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 3.6 p90 -62.09 -33.48 74.51 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.778 0.323 . . . . 0.0 110.402 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.481 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 20.5 tttt -79.78 -28.92 40.26 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.25 -21.87 53.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.348 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.64 36.03 1.74 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.352 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 29' ' ' LEU . 1.4 pt? -47.96 -24.46 1.06 Allowed 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.2 tt0 -158.02 69.14 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.426 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 47.96 43.24 17.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.279 0.561 . . . . 0.0 110.784 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -74.38 4.14 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.768 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 76.64 132.01 0.05 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.9 0.381 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.0 mm? -100.22 108.7 20.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.17 174.62 7.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -108.87 -26.38 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -86.87 -15.63 38.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.308 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.31 157.12 2.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.874 0.368 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.723 ' HG2' HG22 ' A' ' 11' ' ' THR . 1.7 mp0 -151.79 148.24 27.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.567 HD13 ' O ' ' A' ' 39' ' ' GLU . 19.4 mm -131.88 147.98 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.891 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -118.32 115.83 25.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.194 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 1.054 HD13 HG13 ' A' ' 53' ' ' VAL . 25.4 mm -109.02 101.83 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mm -98.02 142.89 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.512 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -139.8 147.74 41.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.457 HG12 ' HB2' ' A' ' 51' ' ' ASN . 0.8 OUTLIER -155.24 164.4 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.651 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.09 67.83 0.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.155 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.49 14.59 59.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.468 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m 75.99 2.54 3.65 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 179.58 61.99 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.739 0.304 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m 65.24 -163.95 0.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.601 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.512 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 44.8 t30 -130.3 -104.51 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.425 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.486 ' CE1' ' CD2' ' A' ' 78' ' ' HIS . 5.0 p-80 -151.6 170.03 20.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.834 0.35 . . . . 0.0 111.15 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 1.054 HG13 HD13 ' A' ' 42' ' ' ILE . 21.6 t -125.06 150.29 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.167 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.94 148.41 52.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -101.37 108.54 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.891 HD11 ' HB2' ' A' ' 41' ' ' ALA . 12.5 mt -85.99 91.79 8.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.7 p -66.89 -50.69 61.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.22 106.93 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.646 ' OH ' HD13 ' A' ' 65' ' ' ILE . 76.2 t80 -62.43 144.07 56.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 14.0 m120 -90.13 -160.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.753 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.5 t -133.84 -44.92 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.3 . . . . 0.0 111.063 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.6 m -52.55 168.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.346 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.82 -20.65 52.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -53.82 -24.01 14.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 111.039 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.646 HD13 ' OH ' ' A' ' 59' ' ' TYR . 2.5 pp -55.99 -41.91 69.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.444 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.598 ' N ' HD12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -79.11 -38.77 35.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -58.22 -50.08 74.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.182 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -60.42 -51.45 69.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.08 -58.67 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.219 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.18 -33.37 8.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 9.2 mt-10 -63.26 -43.9 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.337 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.27 -24.44 46.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.121 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.66 -65.67 3.41 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.382 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.55 28.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.041 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.24 -77.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.167 0.508 . . . . 0.0 111.032 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 77' ' ' ASN . 16.9 mm -67.04 159.9 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.137 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.468 ' N ' HG22 ' A' ' 76' ' ' ILE . 9.4 t-20 -59.35 -22.43 61.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.762 ' O ' HG22 ' A' ' 79' ' ' THR . 56.7 t-80 63.94 165.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 78' ' ' HIS . 4.5 t 56.93 137.69 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.585 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 79' ' ' THR . 0.8 OUTLIER 168.64 -31.22 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.782 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 84' ' ' LEU . 4.3 mt 70.79 2.5 4.19 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.762 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -86.17 -45.65 11.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 110.515 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.502 HG13 HD12 ' A' ' 84' ' ' LEU . 8.4 pt -61.0 -32.55 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.426 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.62 ' HG ' HD23 ' A' ' 88' ' ' LEU . 3.9 mp -69.31 -45.51 69.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.804 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.87 -20.39 66.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.372 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.4 -32.21 25.8 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.826 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -169.15 65.04 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.823 0.344 . . . . 0.0 111.297 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.62 HD23 ' HG ' ' A' ' 84' ' ' LEU . 7.9 tp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.013 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.6 t80 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.825 0.345 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.47 HG22 HG23 ' A' ' 5' ' ' THR . 27.1 mm 65.59 68.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.18 88.13 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.65 ' C ' HD13 ' A' ' 6' ' ' LEU . 15.9 p -97.96 165.7 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.664 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -155.53 171.32 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.616 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.59 140.71 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 111.175 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.65 115.69 5.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.248 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.8 mt -94.43 109.85 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 111.463 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -143.61 162.59 35.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.013 179.549 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.452 HG21 ' HG2' ' A' ' 39' ' ' GLU . 3.6 p -151.84 160.89 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 111.173 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 1.039 HD12 ' HB1' ' A' ' 27' ' ' ALA . 3.6 tt -48.3 -29.86 4.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.222 0.534 . . . . 0.0 110.815 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -100.15 -33.94 10.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.646 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -100.16 40.18 1.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.369 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' HG3' ' A' ' 21' ' ' PRO . 1.1 mp -26.93 143.29 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.781 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 99.1 Cg_exo -44.66 94.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.758 2.305 . . . . 0.0 112.3 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.4 -5.54 24.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.504 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -66.72 -35.21 79.59 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.694 0.283 . . . . 0.0 111.579 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -170.22 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.477 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 7.9 ttm180 -135.15 137.53 27.05 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-O 120.669 0.271 . . . . 0.0 111.641 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HG3' HD23 ' A' ' 15' ' ' LEU . 51.7 Cg_exo -54.52 104.86 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.723 2.282 . . . . 0.0 112.697 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -100.37 -28.48 12.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.869 HG21 HG21 ' A' ' 40' ' ' ILE . 14.7 p -100.1 -13.79 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.819 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.478 ' OD1' HD11 ' A' ' 15' ' ' LEU . 34.6 t70 -48.78 -27.96 3.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -62.78 -40.43 97.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.552 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -24.54 67.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.612 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 1.039 ' HB1' HD12 ' A' ' 12' ' ' LEU . . . -72.39 -38.89 68.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.848 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -79.7 -19.38 70.91 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.605 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -8.36 68.17 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.38 1.072 . . . . 0.0 113.055 -179.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.617 ' N ' ' O ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER 98.68 58.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.334 -1.303 . . . . 0.0 112.092 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 12.7 pttp 46.69 42.35 11.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.312 0.577 . . . . 0.0 110.925 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 12.5 tttt -69.4 -6.59 31.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.697 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.448 ' O ' HD11 ' A' ' 12' ' ' LEU . 0.7 OUTLIER 69.52 -172.94 0.18 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.7 0.286 . . . . 0.0 110.865 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.838 HD23 ' CD2' ' A' ' 12' ' ' LEU . 2.6 mp -108.74 84.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 111.385 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.452 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -100.22 140.24 34.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.977 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.519 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 13.7 m-20 -58.71 -16.38 16.26 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.705 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -78.2 3.57 14.88 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 11' ' ' THR . 18.2 m-20 -95.9 103.05 14.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.61 0.243 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.452 ' HG2' HG21 ' A' ' 11' ' ' THR . 0.0 OUTLIER -125.54 136.85 53.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.869 HG21 HG21 ' A' ' 23' ' ' VAL . 3.1 mp -136.52 149.96 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.449 . . . . 0.0 111.606 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.66 96.5 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.881 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.699 HG12 HG13 ' A' ' 53' ' ' VAL . 42.2 mt -82.74 136.71 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.545 HG21 ' HA2' ' A' ' 73' ' ' GLY . 15.4 mm -118.71 152.44 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.74 122.03 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.3 pt -114.97 -42.48 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.236 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -178.03 37.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.29 52.42 0.69 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 50.02 71.01 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.815 0.34 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 61.2 31.72 19.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 p -178.29 -176.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -174.39 -81.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.29 174.9 10.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.699 HG13 HG12 ' A' ' 42' ' ' ILE . 23.7 t -148.2 114.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.986 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.529 HD11 ' HB1' ' A' ' 72' ' ' ALA . 68.6 mt -108.27 165.57 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' HG13 ' A' ' 40' ' ' ILE . 1.3 t80 -118.71 111.64 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.82 138.46 57.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -99.96 -76.18 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.1 t -110.43 -77.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.075 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.565 ' HA ' HD13 ' A' ' 65' ' ' ILE . 9.1 t80 63.81 119.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -130.89 35.98 3.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.064 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 t 60.42 30.73 20.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.739 ' CG2' HD12 ' A' ' 65' ' ' ILE . 6.5 m -97.98 144.06 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.64 -27.59 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.57 -31.9 73.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.739 HD12 ' CG2' ' A' ' 62' ' ' VAL . 17.3 mt -105.45 -29.05 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -43.47 92.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.779 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.7 -29.83 62.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -58.23 -45.22 88.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.97 -57.11 5.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.698 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -49.25 -37.14 22.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.126 0.489 . . . . 0.0 110.125 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HA ' ' HG2' ' A' ' 75' ' ' LYS . 7.3 mt-10 -63.32 -53.82 46.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.061 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -61.16 -22.88 65.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.657 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.545 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -63.03 -46.58 93.17 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.445 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.78 61.5 0.47 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 1.8 mmmt -99.36 -93.96 0.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.817 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 76' ' ' ILE . 21.3 mt -100.25 26.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.205 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p30 44.27 30.28 0.44 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.516 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.2 m80 57.23 105.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 t -112.25 -35.08 5.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.2 p -132.36 165.87 23.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.474 HD22 HD13 ' A' ' 84' ' ' LEU . 17.5 mt -101.18 4.57 42.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.32 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -28.26 67.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.727 0.299 . . . . 0.0 110.941 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 84' ' ' LEU . 18.6 tt -59.02 -45.7 92.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.805 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -60.19 -45.28 93.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.047 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.65 -23.25 66.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.228 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.64 -33.71 55.22 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.52 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.617 ' O ' HD22 ' A' ' 88' ' ' LEU . 22.1 p-80 -168.98 70.04 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.904 0.383 . . . . 0.0 111.329 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.617 HD22 ' O ' ' A' ' 87' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.87 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.5 p90 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.803 0.335 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.58 HD13 ' C ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -59.25 117.3 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.553 ' N ' HD13 ' A' ' 3' ' ' ILE . . . -78.22 123.83 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.4 p -88.75 107.06 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 6' ' ' LEU . 2.5 mm? -95.59 116.98 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -113.15 90.77 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.658 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.55 173.76 54.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.045 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.718 HG12 HG23 ' A' ' 11' ' ' THR . 12.8 tt -159.88 135.1 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.975 0.417 . . . . 0.0 111.492 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 16' ' ' PRO . 3.0 m-85 -117.8 77.69 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.305 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.738 ' C ' HD23 ' A' ' 12' ' ' LEU . 66.3 p -79.68 134.83 36.43 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.305 0.574 . . . . 0.0 111.209 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.738 HD23 ' C ' ' A' ' 11' ' ' THR . 1.2 pt? 46.52 -174.69 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.159 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.714 ' CD ' HD23 ' A' ' 34' ' ' LEU . 7.2 mtmp? -89.07 -7.13 56.44 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.834 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.634 ' HB3' HD11 ' A' ' 12' ' ' LEU . 6.9 t70 -88.2 -19.67 26.58 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.829 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.415 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -102.43 40.68 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.526 ' CD ' ' C ' ' A' ' 14' ' ' ASP . 83.5 Cg_endo -79.7 54.95 5.43 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.866 1.71 . . . . 0.0 112.666 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 35.3 tt0 56.77 -84.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -137.61 -30.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.685 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -170.18 -92.21 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.304 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.99 104.08 0.36 Allowed Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.97 125.55 4.78 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.596 2.198 . . . . 0.0 112.216 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -91.9 -13.0 31.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.273 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.46 HG11 ' HB ' ' A' ' 40' ' ' ILE . 27.6 m -100.26 -13.57 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.89 -35.94 25.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.674 0.273 . . . . 0.0 111.292 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CD2' HD22 ' A' ' 29' ' ' LEU . 7.8 p90 -58.66 -42.57 88.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.352 . . . . 0.0 110.699 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -25.29 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.445 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.808 ' HB1' ' HA ' ' A' ' 34' ' ' LEU . . . -75.01 -22.41 58.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.275 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.94 16.68 7.74 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.084 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.503 HD22 ' CD2' ' A' ' 25' ' ' TYR . 1.3 mp -100.18 36.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.91 0.355 . . . . 0.0 111.276 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -176.0 43.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.984 0.421 . . . . 0.0 111.113 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.31 32.64 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.362 0.601 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -100.47 149.8 23.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -76.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.51 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.808 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . 1.9 tp -170.15 -167.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.377 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.402 ' HB2' ' HG2' ' A' ' 13' ' ' LYS . 17.7 m -90.36 44.58 1.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.452 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -57.93 -32.2 67.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.236 0.541 . . . . 0.0 109.9 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.88 16.28 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.392 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.826 ' OD2' HD11 ' A' ' 40' ' ' ILE . 34.5 t0 -80.82 142.96 33.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.074 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HG3' HG22 ' A' ' 11' ' ' THR . 6.2 tt0 -123.06 105.74 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.706 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.826 HD11 ' OD2' ' A' ' 38' ' ' ASP . 10.1 mm -111.26 149.24 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.93 149.74 34.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.375 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.672 ' N ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -134.76 114.66 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.984 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.76 HG21 ' CA ' ' A' ' 73' ' ' GLY . 24.6 mm -99.13 114.44 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.405 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 16.1 p -98.98 130.78 45.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -157.54 43.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.753 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? 65.8 -74.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.059 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.51 -88.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.281 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.556 ' O ' ' HB3' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -117.38 -33.03 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.556 ' HB3' ' O ' ' A' ' 48' ' ' THR . 2.0 pm0 161.89 33.27 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.717 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 49' ' ' GLN . 7.5 p 177.8 -159.06 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.713 0.292 . . . . 0.0 110.601 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 22.5 p30 -121.14 -173.26 2.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.51 ' NE2' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -134.14 145.19 49.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.74 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 42' ' ' ILE . 14.9 t -97.91 157.38 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.328 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 84' ' ' LEU . 3.9 mt -169.97 148.59 3.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.773 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.592 ' HB3' HD21 ' A' ' 88' ' ' LEU . 53.8 t80 -70.1 156.79 38.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.601 HD11 HD21 ' A' ' 69' ' ' LEU . 1.2 mm? -126.95 136.46 52.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . 0.44 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -98.74 159.35 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.85 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t -111.84 129.82 56.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.027 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.704 ' O ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 176.8 98.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -37.76 -62.14 0.57 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.914 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.849 ' O ' HG22 ' A' ' 62' ' ' VAL . 14.0 p -70.97 -153.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 61' ' ' SER . 1.0 OUTLIER 82.57 -39.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.293 0.637 . . . . 0.0 112.604 179.677 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 68.52 -46.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.847 0.356 . . . . 0.0 111.34 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.641 ' HG2' HG23 ' A' ' 62' ' ' VAL . 3.7 pt-20 -48.23 -24.99 1.33 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.615 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 59' ' ' TYR . 6.3 mt -33.34 -65.05 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.053 0.454 . . . . 0.0 111.135 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -33.6 44.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -54.54 -37.88 65.94 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.039 0.447 . . . . 0.0 110.737 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -49.15 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.699 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.601 HD21 HD11 ' A' ' 56' ' ' LEU . 9.3 mp -59.07 -45.05 91.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -31.94 70.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.178 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 5.5 tt0 -69.44 -47.06 65.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.472 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.4 7.01 27.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.43 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.76 ' CA ' HG21 ' A' ' 43' ' ' ILE . . . -92.23 -53.11 2.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.824 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 45' ' ' ILE . . . -154.55 28.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.577 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -85.9 -151.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.603 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.489 HD13 ' H ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -36.71 -83.56 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 174.42 -179.96 0.11 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.904 0.383 . . . . 0.0 111.212 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -111.67 67.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 m -94.37 -67.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.74 -54.05 18.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 81' ' ' LEU . 10.8 mt 61.92 24.41 14.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.81 -45.28 86.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 84' ' ' LEU . 2.5 pp -56.46 -37.11 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.998 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.585 ' CD1' HD21 ' A' ' 54' ' ' LEU . 6.7 tt -65.77 -32.44 73.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.45 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -71.64 -29.95 65.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.718 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.82 -28.83 17.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.344 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -33.63 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' A' ' 55' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.146 0 CA-C-O 120.628 0.251 . . . . 0.0 110.983 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 3' ' ' ILE . 3.5 mp 47.71 90.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.813 0.34 . . . . 0.0 111.258 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.01 81.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.615 HG21 ' HB2' ' A' ' 74' ' ' ALA . 41.1 p -70.15 112.83 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 6' ' ' LEU . 2.0 tm? -73.95 77.28 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -99.94 109.89 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.752 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -118.57 156.87 15.48 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.537 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 10' ' ' PHE . 23.2 mt -97.57 157.97 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 0.0 111.148 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.67 ' HA ' HD21 ' A' ' 15' ' ' LEU . 4.4 m-85 -144.02 53.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.55 ' O ' HD12 ' A' ' 15' ' ' LEU . 10.1 t -83.89 124.92 31.49 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.752 0.787 . . . . 0.0 111.427 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.836 ' O ' HD12 ' A' ' 15' ' ' LEU . 6.3 mp 56.09 160.1 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.685 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -74.96 5.88 4.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.533 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.539 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -87.76 -25.48 23.39 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.303 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -101.01 34.11 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.539 ' CD ' ' C ' ' A' ' 14' ' ' ASP . 84.3 Cg_exo -45.27 83.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.154 1.902 . . . . 0.0 113.034 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' LEU . 3.3 tt0 12.39 -79.07 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.576 0.75 . . . . 0.0 112.896 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 3.8 tp10 -99.77 -46.62 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.051 0.453 . . . . 0.0 111.419 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 40.9 m-85 -170.25 -60.27 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.444 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -138.47 74.86 39.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.888 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.424 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 76.1 Cg_exo -50.93 -171.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.167 2.578 . . . . 0.0 113.87 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -92.9 -31.88 14.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.962 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.498 ' CG2' ' CE2' ' A' ' 10' ' ' PHE . 21.4 m -67.51 -10.35 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.5 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -47.72 -28.83 2.66 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.787 0.327 . . . . 0.0 110.696 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -59.85 -34.81 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.105 0.478 . . . . 0.0 109.936 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 26.6 tttp -58.82 -33.54 70.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.34 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.78 -26.26 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.285 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.06 26.43 6.76 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.067 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.6 ' HG ' ' HA ' ' A' ' 26' ' ' LYS . 16.1 mt -37.65 -71.04 0.08 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.153 0.501 . . . . 0.0 112.101 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 13.3 tp10 -177.54 94.76 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.678 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 30' ' ' GLU . 3.7 ttpt 82.45 40.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -173.24 2.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.456 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.58 112.92 19.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.89 0.376 . . . . 0.0 110.781 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -92.4 46.88 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 p -100.17 30.34 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.78 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 70.34 11.84 7.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.18 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -88.2 12.25 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.496 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.649 ' CG ' HD11 ' A' ' 40' ' ' ILE . 15.5 t0 -80.72 113.31 18.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.76 0.314 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.489 ' C ' HD12 ' A' ' 40' ' ' ILE . 3.0 mp0 -113.43 118.43 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.724 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.649 HD11 ' CG ' ' A' ' 38' ' ' ASP . 1.5 mp -145.71 165.93 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.19 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.487 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -137.55 116.43 12.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.628 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.463 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 1.2 tp -86.9 142.64 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 111.316 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.56 HG21 ' HA2' ' A' ' 73' ' ' GLY . 24.1 mt -145.99 142.11 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 6.4 t -155.8 146.81 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.661 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.896 HD12 ' HB2' ' A' ' 51' ' ' ASN . 3.1 mp -121.15 -81.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.184 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.9 41.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 111.004 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.56 14.31 63.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.742 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 p 64.15 12.47 7.07 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.546 0.212 . . . . 0.0 111.404 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -157.13 27.69 0.3 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.66 0.267 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.05 169.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.499 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.896 ' HB2' HD12 ' A' ' 45' ' ' ILE . 20.5 t-20 -91.44 -94.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.459 ' CD2' ' ND2' ' A' ' 51' ' ' ASN . 22.8 m-70 -154.18 -170.94 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.358 . . . . 0.0 111.137 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.7 p -154.22 136.74 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.3 mt -129.75 150.31 51.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.075 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 3.0 p90 -90.94 121.51 32.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 1.9 mm? -62.28 114.03 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.3 p -100.07 -165.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.813 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -96.98 84.79 3.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -75.94 -176.54 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -98.53 -67.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -123.35 -176.27 3.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.989 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.58 33.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -109.09 -54.55 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.35 -33.52 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.34 -31.35 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -65.71 -60.47 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -59.98 -30.82 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.87 -55.35 13.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.54 -52.32 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -53.45 -43.96 68.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.71 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 4.1 tt0 -66.67 -37.15 84.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.649 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.507 ' HB1' ' CE1' ' A' ' 78' ' ' HIS . . . -84.5 3.44 36.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.337 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.56 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -92.26 -59.93 1.27 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.531 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 5' ' ' THR . . . -129.13 -1.99 5.13 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -100.19 -170.5 1.88 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.821 0.343 . . . . 0.0 111.122 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -76.49 -165.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 77.83 88.47 0.07 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.507 ' CE1' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -178.52 -178.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.804 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.559 ' C ' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER 61.33 171.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.944 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.559 HG23 ' C ' ' A' ' 79' ' ' THR . 1.6 p 81.12 -22.29 0.28 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.755 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.9 mt 61.02 18.0 8.51 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.684 0.278 . . . . 0.0 111.377 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -81.72 -52.59 7.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.783 0.325 . . . . 0.0 110.727 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.432 HG13 HD12 ' A' ' 84' ' ' LEU . 23.9 pt -59.17 -34.63 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.62 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.432 HD12 HG13 ' A' ' 83' ' ' ILE . 1.2 mp -70.71 -34.38 71.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.136 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.98 -30.17 63.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.561 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.63 -26.05 16.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -101.48 -56.49 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 110.8 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.696 0.284 . . . . 0.0 110.874 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 mm -107.59 133.14 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.61 54.92 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.91 105.78 3.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.74 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -96.46 123.28 40.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.967 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.735 ' HA ' HG22 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -120.03 97.6 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.83 122.5 5.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.527 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.1 tt -100.83 118.83 48.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.945 0.402 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.935 ' CD1' HD13 ' A' ' 42' ' ' ILE . 7.1 m-85 -71.61 149.75 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.189 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.797 ' OG1' HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -123.8 127.55 48.25 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.448 0.642 . . . . 0.0 111.044 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.515 HD12 ' HB ' ' A' ' 11' ' ' THR . 0.3 OUTLIER 51.33 -170.01 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.189 -179.5 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HD2' ' HB1' ' A' ' 27' ' ' ALA . 3.3 mmtp -100.31 -7.16 24.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.037 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.548 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.9 p30 -100.42 -21.68 15.3 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.797 HD23 ' OG1' ' A' ' 11' ' ' THR . 33.4 tp -101.82 74.19 0.14 Allowed Pre-proline 0 CA--C 1.533 0.309 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 74.2 Cg_endo -82.0 50.46 3.47 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.313 2.009 . . . . 0.0 112.277 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.705 ' OE2' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -60.63 90.36 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.413 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -179.99 -44.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.729 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -170.43 -75.94 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -153.13 165.45 17.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.343 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 20' ' ' ARG . 34.6 Cg_endo -65.18 67.97 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.371 2.047 . . . . 0.0 112.335 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' ARG . 82.2 t80 -79.97 -66.31 0.89 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.477 HG22 ' HG2' ' A' ' 26' ' ' LYS . 12.8 p -54.56 -17.73 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.543 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.3 -29.14 0.95 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.344 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.496 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 6.0 p90 -62.78 -34.26 76.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.771 0.32 . . . . 0.0 110.732 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.756 ' NZ ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -67.39 -30.47 70.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.193 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 13' ' ' LYS . . . -73.35 -18.97 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.819 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.19 29.15 3.09 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.004 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.8 tp -47.13 -28.76 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.72 93.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.73 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.22 44.62 9.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.518 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -100.12 135.08 42.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.623 179.446 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.28 109.41 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.026 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -120.27 97.84 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.793 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.87 -82.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 174.99 84.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -170.22 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.68 154.62 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.8 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.544 ' O ' HD13 ' A' ' 40' ' ' ILE . 8.9 mt-10 -133.01 154.6 50.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.748 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.756 HD12 ' NZ ' ' A' ' 26' ' ' LYS . 5.9 mm -122.73 153.58 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.847 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . . . -115.86 113.56 23.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.935 HD13 ' CD1' ' A' ' 10' ' ' PHE . 3.3 mp -122.13 113.82 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.735 HG22 ' HA ' ' A' ' 7' ' ' LYS . 15.1 pt -128.35 135.05 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -106.92 149.67 27.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.77 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.4 pt -146.22 41.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.253 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.61 21.96 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.64 78.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.226 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.9 m 69.54 -66.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.644 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 176.73 59.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.792 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.38 -175.23 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.66 ' OD1' HG23 ' A' ' 42' ' ' ILE . 13.8 p30 -134.88 -179.18 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -109.3 152.49 25.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -126.38 143.07 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.582 HD21 HD12 ' A' ' 84' ' ' LEU . 8.3 mt -154.99 142.32 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.423 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 2.4 t80 -74.69 118.24 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.847 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 1.3 mm? -61.72 102.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 m -100.06 30.64 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.736 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 m -57.71 171.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.513 ' CD2' HD11 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -119.45 -55.33 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -149.5 -74.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.775 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.48 92.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.479 HG23 HG12 ' A' ' 65' ' ' ILE . 4.8 m -149.87 169.16 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.36 -31.38 70.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.6 -29.91 69.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.513 HD11 ' CD2' ' A' ' 59' ' ' TYR . 28.2 mm -72.22 -62.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.226 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.67 -33.34 70.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -60.7 -31.05 70.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.769 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.12 -50.3 35.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -66.08 -55.62 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -34.35 36.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.514 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 17.1 mt-10 -60.72 -41.21 94.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.45 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.91 -22.14 33.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.227 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.537 ' HA2' HD12 ' A' ' 43' ' ' ILE . . . -56.09 -59.1 11.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.581 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.73 39.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.381 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.03 -73.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.29 0.567 . . . . 0.0 111.076 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.6 pt -95.26 39.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.639 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.0 m120 69.41 -63.93 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.626 ' CD2' HD11 ' A' ' 83' ' ' ILE . 38.4 t-80 65.93 77.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -164.04 33.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.581 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -133.37 3.87 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.747 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 54.3 26.19 6.63 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.713 0.292 . . . . 0.0 111.214 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -81.9 -65.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.626 HD11 ' CD2' ' A' ' 78' ' ' HIS . 2.5 pt -54.7 -29.24 20.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.582 HD12 HD21 ' A' ' 54' ' ' LEU . 8.3 tt -76.41 -32.43 58.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.169 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.16 -24.72 51.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.481 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.6 -24.44 25.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.397 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.533 ' HB3' HD22 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -101.4 -61.86 1.32 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.932 0.396 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 87' ' ' HIS . 3.3 mm? . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.633 ' CD2' HG22 ' A' ' 3' ' ' ILE . 2.0 p90 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.918 0.389 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.633 HG22 ' CD2' ' A' ' 2' ' ' PHE . 10.7 tt -177.79 153.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.05 107.38 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p -141.87 101.08 3.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 6' ' ' LEU . 3.4 mp -121.85 157.0 32.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.743 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.535 ' HG3' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -141.13 133.39 28.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.479 ' O ' HD13 ' A' ' 9' ' ' ILE . . . -119.82 162.21 14.05 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.542 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.498 HG22 HG23 ' A' ' 11' ' ' THR . 26.7 mm -129.79 137.19 57.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.832 0.348 . . . . 0.0 111.066 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 16' ' ' PRO . 4.2 m-85 -119.04 65.89 0.78 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.54 ' CB ' HD22 ' A' ' 12' ' ' LEU . 22.5 p -70.69 153.84 42.43 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.715 ' O ' ' C ' ' A' ' 13' ' ' LYS . 1.2 mm? 55.21 150.21 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.322 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.715 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -7.55 83.95 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.3 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 12' ' ' LEU . 39.1 p-10 -5.07 71.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.951 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 13' ' ' LYS . 52.0 tp -54.61 112.35 3.9 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.207 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HG3' ' N ' ' A' ' 21' ' ' PRO . 91.1 Cg_endo -78.81 78.9 3.53 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.557 2.171 . . . . 0.0 112.173 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -48.5 -27.82 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 4.5 tp10 -58.73 -61.61 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.48 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 23.2 m-85 -167.01 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.508 ' HB2' ' HD2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -113.6 160.26 32.45 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.765 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD2' ' HB2' ' A' ' 20' ' ' ARG . 4.6 Cg_endo -46.65 103.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.876 2.384 . . . . 0.0 112.734 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -95.12 -50.04 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 23' ' ' VAL . 21.1 t -81.4 -7.24 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.46 -27.17 9.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.904 0.383 . . . . 0.0 110.593 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -61.51 -37.9 85.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.297 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.654 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -68.65 -27.91 66.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.976 179.054 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -73.26 -20.24 60.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.544 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.9 33.71 2.16 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.297 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -53.12 -24.24 9.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.778 0.323 . . . . 0.0 111.501 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.64 81.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.11 43.35 20.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.53 -8.45 38.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.814 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tptm 67.06 148.85 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.805 0.336 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -113.44 97.5 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.25 138.5 37.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.169 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.46 -5.74 48.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.042 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -92.55 14.12 17.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.762 0.315 . . . . 0.0 110.991 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.81 168.11 18.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.908 0.385 . . . . 0.0 111.028 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -159.93 117.31 2.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.7 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.471 HG23 ' HA ' ' A' ' 55' ' ' PHE . 29.5 mt -125.63 153.82 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.29 151.58 49.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -137.83 127.96 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.535 HG23 ' HG3' ' A' ' 7' ' ' LYS . 3.9 mp -105.57 113.66 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.477 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -79.64 132.22 36.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.3 mt -152.51 152.56 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.792 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -50.73 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.64 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.08 20.33 3.19 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.856 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 44.87 30.47 0.56 Allowed 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.754 0.312 . . . . 0.0 111.109 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.94 -63.34 0.47 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.579 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.45 -69.37 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.161 0.505 . . . . 0.0 110.645 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.477 ' CB ' ' HA ' ' A' ' 44' ' ' SER . 4.7 p-10 -179.3 -169.88 0.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.192 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.426 ' CE1' ' HB ' ' A' ' 43' ' ' ILE . 48.3 p-80 -141.0 149.07 41.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.751 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.56 HG23 HG22 ' A' ' 42' ' ' ILE . 13.3 p -111.25 158.24 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.395 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.905 HD22 HD11 ' A' ' 88' ' ' LEU . 9.7 mt -154.89 127.88 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.471 ' HA ' HG23 ' A' ' 40' ' ' ILE . 51.2 t80 -70.18 144.95 51.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.59 HD11 HD11 ' A' ' 69' ' ' LEU . 3.0 mp -122.31 131.61 53.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -59.33 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -156.39 22.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.281 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' SER . 3.6 t80 54.15 -82.52 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' SER . 0.1 OUTLIER 60.77 -79.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.802 0.334 . . . . 0.0 111.334 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -55.25 168.17 0.38 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.263 -179.701 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.0 m -146.44 169.51 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 66.74 -70.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.59 -45.43 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.82 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.82 HD13 ' O ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -70.65 -37.92 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.02 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -38.45 83.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -77.7 -30.78 51.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.6 -50.51 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.59 HD11 HD11 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -63.06 -61.68 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 -179.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -49.77 -28.71 6.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 26.7 tt0 -69.63 -44.06 71.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.601 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.89 -0.91 32.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.541 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.1 -74.61 1.28 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.658 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.1 -3.11 23.48 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -99.98 -154.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.695 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.2 mt -41.54 139.45 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.929 0.395 . . . . 0.0 111.469 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -54.34 -178.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.623 ' O ' HG22 ' A' ' 79' ' ' THR . 12.7 m-70 -82.7 -14.46 54.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 78' ' ' HIS . 0.5 OUTLIER 75.92 -174.75 0.11 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 120.731 0.301 . . . . 0.0 110.932 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.76 HG23 ' HG2' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -51.12 171.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.076 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.71 -17.83 59.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.606 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.76 ' HG2' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -54.36 -30.36 51.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.78 0.324 . . . . 0.0 111.015 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 80' ' ' THR . 12.7 tt -59.79 -44.93 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.835 HD12 ' HG ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -58.98 -41.0 86.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.18 179.461 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.92 -26.8 68.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.111 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -78.61 -49.65 6.5 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.389 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 p80 179.58 77.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.905 HD11 HD22 ' A' ' 54' ' ' LEU . 1.8 tm? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.738 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.836 0.35 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.2 tt -102.8 100.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.39 135.44 51.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.8 p -101.67 166.16 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 43' ' ' ILE . 2.5 mp -94.86 118.17 31.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -113.49 115.55 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.75 101.17 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.216 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.05 76.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 111.446 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 8.9 m-85 -72.61 127.38 32.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.116 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 12' ' ' LEU . 23.1 p -147.51 162.86 38.2 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.34 0.591 . . . . 0.0 111.685 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 11' ' ' THR . 8.1 mp 53.83 159.27 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.602 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -56.26 -19.26 13.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 179.081 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.482 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 2.6 p30 -89.3 11.1 19.94 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.907 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -44.85 -33.67 1.49 Allowed Pre-proline 0 CA--C 1.537 0.454 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 20.4 Cg_exo -68.87 53.58 0.8 Allowed 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.037 1.824 . . . . 0.0 112.627 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.4 75.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.153 0.501 . . . . 0.0 111.179 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER 165.36 -55.59 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.547 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -170.94 -69.47 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.38 102.68 0.28 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.821 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.445 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 57.2 Cg_endo -71.38 -166.5 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.48 2.12 . . . . 0.0 112.534 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -81.35 -43.85 18.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.004 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.715 HG21 HG21 ' A' ' 40' ' ' ILE . 10.4 p -56.13 -18.28 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.823 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.2 -53.59 10.27 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 4.5 p90 -54.78 -29.06 53.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.478 ' NZ ' HG23 ' A' ' 23' ' ' VAL . 4.4 ttpm? -72.0 -22.55 61.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.499 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.12 -27.23 59.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.96 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.84 32.82 1.99 Allowed Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.972 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.706 HD22 ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.63 -22.97 25.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.689 0.28 . . . . 0.0 111.354 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.706 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER 177.98 42.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.597 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.78 42.54 26.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.596 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.447 ' CB ' HD11 ' A' ' 29' ' ' LEU . 6.3 tttm -76.18 -65.5 0.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.917 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.66 141.74 26.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.0 mm? -101.3 162.78 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.286 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -87.08 -94.49 0.09 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.711 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.3 -71.35 0.05 OUTLIER 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.037 0.446 . . . . 0.0 110.128 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' SER . 30.2 t70 -114.68 3.01 14.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.466 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.493 ' CB ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t70 -81.72 -173.17 4.28 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.547 ' O ' HD13 ' A' ' 40' ' ' ILE . 16.2 mt-10 -159.96 153.0 21.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.715 HG21 HG21 ' A' ' 23' ' ' VAL . 26.2 mm -136.14 132.06 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 1.097 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -118.19 115.66 25.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.452 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.509 HG12 HG13 ' A' ' 53' ' ' VAL . 4.0 mt -132.48 137.31 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.545 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 6' ' ' LEU . 3.5 mp -139.7 139.75 37.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.834 0.349 . . . . 0.0 111.601 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.57 131.1 39.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.691 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.925 HD12 ' O ' ' A' ' 73' ' ' GLY . 2.7 mm -86.99 -66.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.186 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.9 -24.21 15.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.212 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.82 -62.0 3.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 t -74.99 -27.96 60.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.804 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -88.96 -61.58 1.67 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.7 p -177.07 173.77 1.78 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.921 0.391 . . . . 0.0 111.29 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -136.89 -172.82 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.682 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.703 ' HD2' HD11 ' A' ' 45' ' ' ILE . 3.5 p80 -133.27 143.84 49.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.509 HG13 HG12 ' A' ' 42' ' ' ILE . 40.4 t -108.02 133.78 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.53 132.59 46.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.089 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -93.98 132.98 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.597 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 1.097 HD11 ' HB2' ' A' ' 41' ' ' ALA . 68.5 mt -111.54 79.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -27.32 67.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.641 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -152.32 -63.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.713 ' CE2' HD13 ' A' ' 65' ' ' ILE . 29.5 t80 51.72 86.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.224 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -100.28 124.48 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m -48.49 121.62 4.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 62' ' ' VAL . 14.4 p -166.5 29.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.281 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 70.62 -57.61 0.58 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.3 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.76 -37.26 68.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.795 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.713 HD13 ' CE2' ' A' ' 59' ' ' TYR . 1.8 pp -64.68 -36.32 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -69.83 -52.24 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.596 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -55.88 -29.19 59.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.09 -46.57 77.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.5 -64.79 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -47.71 -33.22 6.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.949 0.404 . . . . 0.0 110.77 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 11.4 mt-10 -63.74 -42.24 97.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.254 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.04 6.74 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.297 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.925 ' O ' HD12 ' A' ' 45' ' ' ILE . . . -89.69 -48.75 3.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.16 33.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 111.665 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 7.5 mmtp -100.04 158.4 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.4 pt -68.26 70.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.054 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -179.23 -170.08 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 61.09 91.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 110.64 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 80' ' ' THR . 10.0 t -177.57 -171.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.564 HG23 ' HB2' ' A' ' 82' ' ' LYS . 15.0 t 45.67 27.72 0.46 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.654 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.783 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER 48.47 26.3 1.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.588 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.564 ' HB2' HG23 ' A' ' 80' ' ' THR . 0.9 OUTLIER -80.34 -58.82 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.822 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 pp -54.48 -25.06 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.808 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.783 HD13 ' HA ' ' A' ' 81' ' ' LEU . 4.6 mp -73.01 -45.18 59.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.254 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 7.3 pt-20 -72.83 -13.18 61.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.41 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.89 -26.58 14.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.669 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -165.35 60.68 0.12 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.836 0.35 . . . . 0.0 111.383 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.0 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.786 0.327 . . . . 0.0 110.787 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.8 tp -59.35 108.46 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.74 118.65 5.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -129.67 78.46 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.28 123.15 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.11 76.56 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.733 ' O ' HD13 ' A' ' 9' ' ' ILE . . . -82.05 164.56 44.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.374 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.733 HD13 ' O ' ' A' ' 8' ' ' GLY . 26.3 mm -139.68 102.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 111.325 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CZ ' ' HA ' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -69.98 120.4 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.568 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.473 ' O ' ' O ' ' A' ' 12' ' ' LEU . 9.5 t -131.2 113.88 14.4 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.195 0.521 . . . . 0.0 111.53 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER 56.46 142.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.27 179.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -26.45 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.474 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.46 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 36.2 t70 -53.97 -42.57 69.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.225 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.11 103.08 20.44 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 82.5 Cg_endo -91.6 39.29 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.822 2.348 . . . . 0.0 112.674 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 1.0 OUTLIER 29.42 36.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.634 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 6.6 tp10 167.48 -70.39 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.256 0.55 . . . . 0.0 110.638 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.408 ' O ' ' HG3' ' A' ' 16' ' ' PRO . 12.3 t80 -169.4 -53.07 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.956 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpt85 -106.07 134.59 19.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 19.5 Cg_endo -61.07 105.04 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.557 2.172 . . . . 0.0 112.413 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -93.16 -21.92 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 23' ' ' VAL . 29.8 t -100.28 10.35 7.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.423 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 21' ' ' PRO . 13.7 t70 -84.1 -22.15 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.519 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -70.21 -36.95 74.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HE3' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -72.06 -27.32 62.61 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.359 179.522 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.08 -26.78 59.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.04 24.26 6.01 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.517 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -65.08 -15.27 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 111.545 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 1.2 mt-10 -137.38 50.71 1.96 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 10.4 ptmm? 48.18 41.01 15.05 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.287 0.565 . . . . 0.0 110.652 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -92.92 17.0 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.279 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.724 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER 45.59 -168.43 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.852 0.358 . . . . 0.0 111.42 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.724 HD13 ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -126.28 130.41 50.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -174.29 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -102.98 -20.88 14.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -97.23 23.28 7.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.058 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.49 98.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.802 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 40' ' ' ILE . 5.4 mm-40 -113.57 135.15 54.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 54' ' ' LEU . 4.1 mp -141.09 137.19 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.42 118.6 37.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.8 mt -101.92 113.69 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.402 HG21 ' HA3' ' A' ' 73' ' ' GLY . 11.1 mm -118.8 110.04 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.057 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.3 p -119.23 145.03 46.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.72 HD11 ' O ' ' A' ' 73' ' ' GLY . 13.5 mt -132.35 33.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.79 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.9 27.88 15.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.608 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 t -164.91 -44.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.82 -37.37 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.788 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.0 81.9 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -125.7 119.94 29.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -135.46 148.95 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 53' ' ' VAL . 10.7 p -147.87 122.32 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 40' ' ' ILE . 5.3 mt -103.51 172.92 6.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.989 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -124.95 118.24 25.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.98 122.39 45.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.723 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -98.62 -56.33 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.2 t -103.96 -77.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CZ ' HD12 ' A' ' 65' ' ' ILE . 3.1 t80 60.88 69.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -107.97 -21.63 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -54.9 -174.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.6 HG22 ' OE2' ' A' ' 64' ' ' GLU . 12.5 m -113.81 -148.04 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.536 ' N ' HG23 ' A' ' 62' ' ' VAL . 4.2 m-20 -46.73 -27.35 1.16 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.748 0.309 . . . . 0.0 111.537 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.6 ' OE2' HG22 ' A' ' 62' ' ' VAL . 3.1 pt-20 -52.31 -27.5 15.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.61 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.452 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 43.5 pt -109.48 -7.1 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.445 ' HB2' ' HA ' ' A' ' 63' ' ' ASP . 11.8 mtp85 -78.93 -57.97 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.909 0.385 . . . . 0.0 111.172 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -58.77 -39.71 81.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.389 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 20.8 pt-20 -62.85 -43.93 97.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.014 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 31.8 tp -73.35 -49.61 26.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.79 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.83 -49.48 65.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.8 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.99 -33.73 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.613 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 68' ' ' GLU . . . -53.3 -26.38 18.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.036 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.72 ' O ' HD11 ' A' ' 45' ' ' ILE . . . -93.98 -30.83 8.54 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.514 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.36 34.97 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 111.451 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.04 -178.76 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.401 . . . . 0.0 111.031 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.3 pt -97.19 150.73 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 77.28 -55.17 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.97 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 69.08 11.28 8.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.685 HG21 HG23 ' A' ' 83' ' ' ILE . 0.2 OUTLIER 43.84 -163.23 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.328 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 80' ' ' THR . 9.8 t -170.85 97.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 80' ' ' THR . 0.7 OUTLIER 81.79 -44.01 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.617 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -52.95 -60.24 3.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.677 0.275 . . . . 0.0 111.29 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.685 HG23 HG21 ' A' ' 79' ' ' THR . 1.8 pp -52.81 -29.82 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -45.2 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.274 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 19.9 pt-20 -72.81 -19.95 61.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.424 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.22 -28.74 10.33 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.319 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -179.09 74.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.74 0.305 . . . . 0.0 111.251 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.679 HD22 ' OXT' ' A' ' 88' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.482 ' O ' HG22 ' A' ' 3' ' ' ILE . 38.6 p90 . . . . . 0 N--CA 1.463 0.222 0 CA-C-O 120.905 0.383 . . . . 0.0 111.474 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 2' ' ' PHE . 0.5 OUTLIER 70.75 138.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.437 ' H ' HD13 ' A' ' 3' ' ' ILE . . . -97.89 119.62 36.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.432 HG23 HG23 ' A' ' 3' ' ' ILE . 26.9 p -131.36 94.01 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 6' ' ' LEU . 9.7 mt -116.44 152.84 33.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.071 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HB3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -143.26 160.39 40.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.742 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.35 110.74 0.88 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.64 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 9' ' ' ILE . 18.4 tt -81.97 79.73 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.078 0.466 . . . . 0.0 110.934 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.698 ' CD1' HD11 ' A' ' 42' ' ' ILE . 21.7 m-85 -76.57 143.65 40.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.741 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 12' ' ' LEU . 9.3 t -159.9 155.91 26.4 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.298 0.57 . . . . 0.0 111.512 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.438 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER 57.2 158.0 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.287 -179.46 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -54.43 -22.26 12.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.659 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.616 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 14.2 t70 -84.92 3.96 35.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.658 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 2.4 pt? -41.56 -40.21 2.95 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 12.4 Cg_endo -54.73 71.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.07 1.847 . . . . 0.0 112.914 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.86 67.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.784 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -46.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -170.74 -86.84 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.758 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.28 150.4 43.0 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.839 0.352 . . . . 0.0 111.219 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 63.5 Cg_endo -73.34 123.65 8.87 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.863 2.375 . . . . 0.0 112.918 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -79.55 -39.05 32.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.296 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG2' HD11 ' A' ' 15' ' ' LEU . 25.9 m -74.3 -8.58 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.026 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -48.35 -31.03 5.53 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.652 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -58.83 -35.68 73.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.13 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -65.64 -28.73 69.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.883 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 33' ' ' LYS . . . -68.47 -27.4 66.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.818 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.67 24.57 5.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 29' ' ' LEU . 14.2 tp -79.83 -7.41 58.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -162.32 43.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.949 0.404 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 57.7 43.73 21.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.845 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -95.71 -12.86 24.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.224 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 8.1 mtmm 65.31 -175.65 0.18 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.904 0.383 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -103.15 116.84 33.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.935 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.06 124.53 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.43 -16.79 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.17 24.31 8.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.07 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.3 160.6 26.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -160.99 119.73 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 41' ' ' ALA . 18.4 mt -150.48 160.32 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -146.75 144.25 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.698 HD11 ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -123.54 131.54 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.009 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.638 HG21 ' HA3' ' A' ' 73' ' ' GLY . 13.7 mm -117.04 116.17 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.274 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.492 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 54.5 p -93.99 140.97 29.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 22.3 pt -150.84 33.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER 42.05 37.26 0.81 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.24 51.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.005 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.2 p 40.77 32.16 0.15 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.83 0.348 . . . . 0.0 111.242 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 50' ' ' SER . 17.7 mm100 -147.8 -76.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.316 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 4.8 t 149.63 75.3 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.962 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' HA ' ' A' ' 44' ' ' SER . 3.1 p-10 47.01 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.501 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -151.22 136.7 17.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.654 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.455 ' HA ' HG22 ' A' ' 42' ' ' ILE . 26.2 t -69.92 136.67 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.21 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.18 106.96 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.659 ' HB3' HD21 ' A' ' 88' ' ' LEU . 17.1 t80 -74.48 130.63 39.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.621 HD21 HD13 ' A' ' 69' ' ' LEU . 3.6 mt -109.01 113.12 25.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 t -74.19 -67.89 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -124.5 166.82 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.448 ' CE2' HG12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -167.97 88.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.01 27.53 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 m 57.08 43.26 24.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.734 ' CG2' HG23 ' A' ' 65' ' ' ILE . 28.0 m -88.34 21.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 68.31 -61.87 0.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.796 0.331 . . . . 0.0 111.351 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -47.27 -34.6 6.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.734 HG23 ' CG2' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -70.66 -23.99 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.63 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -77.95 -70.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.374 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -31.01 30.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.347 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 30.0 tp10 -65.34 -51.72 58.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.017 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.621 HD13 HD21 ' A' ' 56' ' ' LEU . 8.8 tp -69.84 -45.56 67.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.091 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.94 -47.09 74.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -78.1 -34.85 49.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 68' ' ' GLU . . . -57.05 -24.43 53.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.2 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.638 ' HA3' HG21 ' A' ' 43' ' ' ILE . . . -90.39 -43.44 4.92 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.663 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.82 32.67 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.279 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.16 157.97 36.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.504 HD13 ' H ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -100.18 119.98 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m120 62.8 118.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -89.17 172.38 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 t -108.52 -161.27 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.714 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 t -91.54 45.08 1.21 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.606 ' O ' HD23 ' A' ' 81' ' ' LEU . 1.1 tt 55.74 23.06 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.228 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -80.07 -49.76 11.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.49 ' CD1' HD12 ' A' ' 84' ' ' LEU . 2.6 pp -56.97 -31.29 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.49 HD12 ' CD1' ' A' ' 83' ' ' ILE . 4.4 mp -70.74 -43.07 69.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.183 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.1 -24.72 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.606 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.39 -21.88 20.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.625 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -116.47 20.49 14.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.627 0.251 . . . . 0.0 111.248 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 55' ' ' PHE . 3.3 tp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.924 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.562 ' O ' HG22 ' A' ' 3' ' ' ILE . 50.7 t80 . . . . . 0 C--O 1.228 -0.073 0 CA-C-O 120.62 0.248 . . . . 0.0 110.728 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 2' ' ' PHE . 1.4 tp 50.4 121.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.986 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.64 103.76 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.938 HG22 HG22 ' A' ' 45' ' ' ILE . 40.0 p -121.14 119.21 31.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.61 137.12 20.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -108.54 120.27 41.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.26 157.96 16.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.591 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.8 mm -132.59 142.94 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 17' ' ' GLU . 1.8 m-85 -115.0 111.78 21.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.445 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.458 ' O ' ' O ' ' A' ' 12' ' ' LEU . 12.4 p -98.8 105.34 17.48 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.105 0.479 . . . . 0.0 111.289 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 11' ' ' THR . 65.0 mt 57.71 137.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.843 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -45.16 -28.1 0.71 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.659 179.571 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.452 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.3 t70 -52.5 -51.59 58.71 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.858 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.661 HD13 ' H ' ' A' ' 17' ' ' GLU . 1.2 tm? -83.87 109.41 18.45 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.382 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.531 ' HD2' HD22 ' A' ' 15' ' ' LEU . 94.2 Cg_endo -93.96 32.26 0.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.757 2.305 . . . . 0.0 113.126 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.661 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER 65.33 -45.29 0.36 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.596 179.466 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.531 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.8 tt0 179.18 -28.89 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -149.64 79.76 1.38 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.059 0.457 . . . . 0.0 111.741 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 61.49 147.16 0.08 OUTLIER Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.377 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -90.36 117.09 0.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.993 2.462 . . . . 0.0 112.607 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.31 -31.98 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.039 0.447 . . . . 0.0 110.339 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.578 HG23 ' HG2' ' A' ' 26' ' ' LYS . 9.4 p -61.34 -18.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.325 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -47.25 -39.3 14.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.561 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.469 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -62.79 -48.64 78.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.524 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.578 ' HG2' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -69.43 -19.0 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.407 179.36 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.17 -25.2 34.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.43 24.71 4.37 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.713 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -21.28 49.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.857 0.36 . . . . 0.0 111.309 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -149.88 44.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 14.9 pttp 48.42 39.89 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.36 0.6 . . . . 0.0 110.77 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -61.76 -69.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.595 ' C ' HD22 ' A' ' 34' ' ' LEU . 8.0 tttp -164.91 -171.9 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.96 0.41 . . . . 0.0 111.235 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.662 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.7 mm? -125.53 -165.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.842 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 37' ' ' ASP . 47.6 t -56.02 -115.3 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.123 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 65.2 -67.84 0.12 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.994 0.426 . . . . 0.0 109.955 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 35' ' ' SER . 2.6 p30 -135.66 14.09 3.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.623 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.51 147.08 54.01 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.847 0.356 . . . . 0.0 111.021 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -164.6 145.61 7.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 55' ' ' PHE . 1.2 tp -146.17 142.33 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 40' ' ' ILE . . . -114.84 117.65 31.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 0.0 111.313 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.622 HG22 ' HA ' ' A' ' 53' ' ' VAL . 1.5 pt -116.3 134.99 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.754 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -134.74 132.27 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 0.0 111.663 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.744 ' O ' HG23 ' A' ' 45' ' ' ILE . 76.5 p -108.6 156.4 19.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.369 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.938 HG22 HG22 ' A' ' 5' ' ' THR . 1.5 pp -168.22 65.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.897 0.379 . . . . 0.0 111.558 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 45.54 30.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.27 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.33 65.79 0.75 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.895 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.18 -63.45 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.743 0.306 . . . . 0.0 110.548 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -179.56 53.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.7 -165.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.401 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 13.1 p30 -149.4 165.37 32.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.781 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -99.69 142.61 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 40' ' ' ILE . 13.0 p -104.38 120.17 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.797 ' HG ' HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -107.86 132.59 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.801 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.802 ' HA ' HD12 ' A' ' 40' ' ' ILE . 44.0 t80 -83.48 148.07 27.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.99 92.96 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.754 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -69.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 p -177.53 61.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -121.28 132.34 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -138.42 27.36 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.736 ' O ' HG12 ' A' ' 62' ' ' VAL . 3.3 m -164.69 -160.24 0.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 61' ' ' SER . 10.0 p 54.53 141.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.157 0.503 . . . . 0.0 111.95 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.22 -27.37 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -26.87 10.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -42.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -70.62 -48.97 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -56.51 -30.74 63.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -75.83 -30.03 58.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.797 HD11 ' HG ' ' A' ' 54' ' ' LEU . 1.8 tp -77.33 -50.25 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -31.24 68.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.12 -28.44 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.72 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.14 -36.91 10.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.02 -64.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.179 0.514 . . . . 0.0 111.183 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -57.84 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 77' ' ' ASN . 31.1 mm -50.19 155.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.266 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.441 ' N ' HG22 ' A' ' 76' ' ' ILE . 55.7 p30 -85.96 -170.22 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.528 ' HA ' HD12 ' A' ' 83' ' ' ILE . 72.5 m80 -52.42 -25.48 10.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.323 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.72 89.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.861 ' O ' HD12 ' A' ' 81' ' ' LEU . 7.0 t 43.91 55.52 5.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.472 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER 44.04 37.04 1.62 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.333 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -78.5 -51.68 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.065 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 78' ' ' HIS . 31.6 mt -54.32 -38.56 40.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 81' ' ' LEU . 5.8 mt -65.58 -41.15 93.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.211 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -72.54 -13.48 61.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -92.19 -31.08 9.35 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.9 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -175.25 66.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.887 0.375 . . . . 0.0 111.579 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.424 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.972 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 t80 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.907 0.384 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.9 mm -68.13 124.99 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.8 94.89 9.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 p -100.45 95.68 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.444 HD11 ' OG ' ' A' ' 44' ' ' SER . 0.1 OUTLIER -110.51 99.65 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 110.65 21.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.794 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.46 132.43 10.98 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.616 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -92.1 116.24 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.755 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CZ ' HG13 ' A' ' 42' ' ' ILE . 4.2 m-30 -78.63 104.4 9.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.468 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.519 ' O ' ' O ' ' A' ' 12' ' ' LEU . 1.2 p -88.13 105.97 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.076 0.465 . . . . 0.0 111.205 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.798 HD22 ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 55.78 138.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.654 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HD3' HD12 ' A' ' 34' ' ' LEU . 1.9 ptpp? -47.09 -24.87 0.73 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.526 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 5.9 t70 -53.97 -42.11 68.6 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mp -100.86 79.7 0.23 Allowed Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.011 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.526 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 59.9 Cg_endo -71.38 54.88 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.785 2.323 . . . . 0.0 113.246 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.449 ' CG ' ' CE1' ' A' ' 10' ' ' PHE . 5.3 tm-20 61.9 -72.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.402 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.8 tm-20 -128.99 -36.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 111.621 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -169.81 -70.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.259 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -124.05 112.27 28.55 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 16' ' ' PRO . 86.0 Cg_endo -92.94 178.52 1.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.974 2.449 . . . . 0.0 112.523 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 90.1 m-85 -92.01 -28.78 16.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.615 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.714 HG11 HG21 ' A' ' 40' ' ' ILE . 7.8 m -73.2 -13.81 16.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.567 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -48.98 -37.71 21.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.758 0.314 . . . . 0.0 111.015 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.467 ' CD2' HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.88 -26.14 65.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -66.56 -37.21 84.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.95 68.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.9 28.37 4.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.437 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -77.48 -12.55 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 111.569 -179.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -177.99 46.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.411 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt 61.53 45.98 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -66.62 -13.39 61.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.198 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.18 160.42 0.23 Allowed 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.4 mm? -78.47 93.32 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.8 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 p -87.49 86.19 7.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.763 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.798 ' O ' HD22 ' A' ' 12' ' ' LEU . 9.8 p-10 -59.4 -20.26 53.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.49 5.54 47.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.627 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.56 157.17 19.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.92 0.391 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -146.21 159.05 43.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.714 HG21 HG11 ' A' ' 23' ' ' VAL . 28.9 mt -147.07 117.47 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.236 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' H ' HD13 ' A' ' 56' ' ' LEU . . . -84.94 127.04 34.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.724 HD13 HG23 ' A' ' 53' ' ' VAL . 28.6 mm -113.68 115.21 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.9 mm -100.1 107.43 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.444 ' OG ' HD11 ' A' ' 6' ' ' LEU . 6.5 t -95.45 109.65 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 73' ' ' GLY . 41.1 pt -151.18 -168.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.46 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.45 38.79 4.1 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.921 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 51.19 52.88 13.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 65.08 66.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -177.39 167.81 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -119.58 137.33 53.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -89.47 126.57 35.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.724 HG23 HD13 ' A' ' 42' ' ' ILE . 14.1 p -109.19 143.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 mt -141.52 120.58 12.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -76.04 134.74 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.402 HD13 ' H ' ' A' ' 41' ' ' ALA . 8.0 mp -98.67 109.59 22.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 t -96.19 -39.5 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -140.0 34.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.48 ' CZ ' HG12 ' A' ' 65' ' ' ILE . 1.6 t80 -67.19 -172.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.771 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 59' ' ' TYR . 3.1 p-10 49.2 109.24 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.854 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.93 -52.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.535 ' O ' HD12 ' A' ' 65' ' ' ILE . 4.1 m -146.42 -174.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.72 1.45 38.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -84.8 -31.1 24.06 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.072 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.858 HD13 ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -81.25 -25.51 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.736 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.858 ' N ' HD13 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -77.9 -35.93 50.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.222 179.224 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -32.87 74.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.039 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -54.01 42.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.468 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.11 -48.11 83.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.64 -33.07 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.343 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HA ' ' CD ' ' A' ' 75' ' ' LYS . 20.3 tt0 -66.55 -39.4 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.517 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.39 -5.11 53.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.433 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.511 ' O ' HD13 ' A' ' 45' ' ' ILE . . . -84.2 -65.03 1.55 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.847 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.46 -15.9 12.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.754 0.311 . . . . 0.0 111.804 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.401 ' CD ' ' HA ' ' A' ' 71' ' ' GLU . 9.4 mttp -100.12 -157.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.786 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 mt -44.04 125.97 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 120.803 0.335 . . . . 0.0 111.481 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -99.59 -175.8 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.82 ' O ' HG22 ' A' ' 80' ' ' THR . 26.5 m-70 -62.29 -59.17 5.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 78' ' ' HIS . 14.6 t 46.79 31.06 1.32 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.363 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.82 HG22 ' O ' ' A' ' 78' ' ' HIS . 1.8 t 174.94 -28.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.489 ' HB3' HD21 ' A' ' 84' ' ' LEU . 5.2 mt 74.36 23.3 2.03 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.48 ' H ' HG23 ' A' ' 80' ' ' THR . 0.6 OUTLIER -75.3 -29.37 60.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.75 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.4 -59.66 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.458 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -56.03 -35.63 67.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.166 179.254 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -66.81 -26.57 67.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.146 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.0 -32.94 62.89 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.278 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.57 71.67 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.91 0.386 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.692 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.618 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.8 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.705 0.288 . . . . 0.0 110.949 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 2' ' ' PHE . 4.8 mp -73.15 112.69 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.7 94.67 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.07 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -121.07 157.84 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tp -150.15 143.4 25.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.714 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -112.24 74.08 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.044 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.41 151.32 51.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.241 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.0 mt -133.0 100.48 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.325 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.764 ' CD2' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -98.51 102.55 14.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.894 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.954 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.1 t -100.3 -177.75 3.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.972 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.954 HD22 ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 46.17 152.48 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.914 0.886 . . . . 0.0 111.945 -177.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.76 -26.45 0.39 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.436 -178.538 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.517 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -81.59 -17.0 49.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.861 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -9.47 73.79 0.02 OUTLIER Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 123.927 0.891 . . . . 0.0 113.299 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 14' ' ' ASP . 84.3 Cg_endo -102.76 48.89 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.378 2.719 . . . . 0.0 114.189 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER 25.26 -93.45 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.815 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -157.06 17.94 0.3 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.731 0.301 . . . . 0.0 110.938 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -170.58 79.78 0.09 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 121.023 0.439 . . . . 0.0 110.805 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 62.62 137.73 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HG3' ' HB3' ' A' ' 16' ' ' PRO . 30.9 Cg_exo -60.79 120.65 8.48 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.496 2.131 . . . . 0.0 112.502 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.15 -29.14 12.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.647 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.717 ' HB ' HD21 ' A' ' 15' ' ' LEU . 4.7 t -92.65 -13.28 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.35 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -47.72 -32.3 5.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -60.19 -36.27 77.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.632 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -34.58 76.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.262 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.24 -29.53 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.579 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.63 17.65 23.06 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.615 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.76 -24.2 21.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.95 0.405 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -178.11 40.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.884 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm 55.9 42.66 28.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.759 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -43.99 84.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -178.12 104.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.43 52.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.08 168.2 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -81.8 0.7 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.464 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.86 25.03 7.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.68 0.276 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -83.43 134.17 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -139.46 141.44 37.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.538 HD13 HG11 ' A' ' 23' ' ' VAL . 20.1 mt -150.02 127.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.239 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.548 ' HB2' HD22 ' A' ' 56' ' ' LEU . . . -103.21 112.21 24.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.861 HG13 HG23 ' A' ' 53' ' ' VAL . 2.9 mp -107.17 125.81 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -119.49 103.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -73.09 144.05 47.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.001 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.729 HD13 ' H ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -135.51 -38.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.314 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -139.8 98.59 3.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.234 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.24 -37.43 54.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.874 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -67.2 -31.79 72.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.997 0.427 . . . . 0.0 110.155 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 46' ' ' LYS . 1.3 mm100 -77.96 -78.77 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.536 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER 163.96 37.89 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.544 179.739 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.49 ' HA ' HD13 ' A' ' 45' ' ' ILE . 10.9 m-80 48.78 -167.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.311 . . . . 0.0 111.017 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.73 92.59 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 110.636 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.861 HG23 HG13 ' A' ' 42' ' ' ILE . 8.5 p -82.72 142.8 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.367 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -143.22 130.18 20.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.778 179.741 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -69.89 146.36 51.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.095 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.548 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.7 tp -137.15 143.66 42.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.6 m -100.01 -77.04 0.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.4 p -177.97 138.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.42 -47.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.7 t30 60.67 30.83 19.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.62 149.52 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -117.57 116.85 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -78.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -85.62 -42.5 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 tt -62.83 -30.9 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -75.61 -49.37 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -31.47 69.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.38 -55.23 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -50.42 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.266 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.94 -36.81 50.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.846 0.355 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -42.91 96.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.716 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.44 -24.64 42.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.66 -59.51 10.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.59 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.52 40.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.293 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -81.29 -85.06 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.968 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.22 -82.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.222 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -166.6 160.9 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -91.32 174.34 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.454 HG21 ' HB3' ' A' ' 82' ' ' LYS . 3.1 t -123.68 52.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.9 m 62.39 -85.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.241 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.5 mt -148.72 29.0 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.746 0.308 . . . . 0.0 111.055 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.454 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.1 OUTLIER -77.27 -55.71 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.092 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 84' ' ' LEU . 37.1 pt -56.74 -31.5 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.536 HD12 HG13 ' A' ' 83' ' ' ILE . 4.7 mp -73.96 -31.83 63.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.28 -24.58 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.66 -21.26 10.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.729 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -105.99 -54.4 2.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.788 0.327 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.417 HD13 HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.756 0.312 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tp -75.74 148.34 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 5' ' ' THR . . . -104.16 146.31 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 4' ' ' ALA . 1.2 p -164.76 136.55 4.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tp -118.98 120.38 37.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 114.62 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.22 162.18 27.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 9' ' ' ILE . 11.6 tt -117.14 123.6 72.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.222 0.534 . . . . 0.0 111.559 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.583 ' CD2' HG21 ' A' ' 23' ' ' VAL . 2.2 m-85 -114.47 111.82 22.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.231 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.84 118.93 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.745 ' N ' ' HB2' ' A' ' 38' ' ' ASP . 4.6 tp -26.2 -48.15 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.692 ' HB3' HD12 ' A' ' 34' ' ' LEU . 14.2 mmtm -100.51 -46.91 5.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.741 0.305 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.478 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 67.3 m-20 -94.59 38.55 1.1 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.915 0.388 . . . . 0.0 111.243 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.707 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 3.5 pp -85.33 -20.08 0.26 Allowed Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 81.0 Cg_endo -82.12 54.0 4.8 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 121.434 1.422 . . . . 0.0 112.999 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -31.67 -36.46 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.175 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.1 tm-20 -88.8 -58.71 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.197 0.522 . . . . 0.0 111.223 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 16' ' ' PRO . 5.4 t80 -171.26 -60.35 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.29 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.95 95.9 1.96 Allowed Pre-proline 0 C--N 1.332 -0.163 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.09 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.515 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 87.0 Cg_endo -77.04 -158.49 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.866 2.377 . . . . 0.0 112.394 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -88.68 -7.37 56.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.664 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -100.67 -7.68 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -53.88 -23.4 12.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.686 0.279 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.4 p90 -68.85 -31.72 70.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.7 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -32.78 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.639 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' LEU . . . -73.37 -18.0 61.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.957 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.74 28.63 2.73 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.826 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.11 -11.83 61.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.702 0.251 . . . . 0.0 111.438 -179.791 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -169.65 47.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.376 . . . . 0.0 111.042 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.31 46.24 7.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -68.46 -14.04 62.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.35 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.584 ' C ' HD13 ' A' ' 34' ' ' LEU . 4.8 ptpt 48.04 -176.05 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 111.449 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -117.49 119.08 33.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -100.21 -90.28 0.32 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.771 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -179.8 -27.76 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.04 22.02 2.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.057 0.455 . . . . 0.0 110.727 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.745 ' HB2' ' N ' ' A' ' 12' ' ' LEU . 4.6 p30 -53.31 93.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.318 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.547 ' C ' HD12 ' A' ' 56' ' ' LEU . 33.6 mm-40 -125.85 100.62 6.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.369 . . . . 0.0 111.28 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 10' ' ' PHE . 5.8 tt -143.53 103.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.57 160.24 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.813 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.788 HG12 HG23 ' A' ' 53' ' ' VAL . 21.1 mt -138.67 141.37 37.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.562 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.631 ' N ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -142.83 156.53 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 111.495 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 18.9 p -134.37 144.43 48.22 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.65 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 45' ' ' ILE . 3.9 mt -119.26 16.03 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.523 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? 55.9 30.36 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.57 39.65 2.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 p 57.32 20.35 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.652 0.263 . . . . 0.0 111.239 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -156.05 19.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.344 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.0 t 42.74 32.95 0.42 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.851 0.357 . . . . 0.0 111.551 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 46.6 t30 59.39 -110.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.571 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.446 ' CE1' ' OD1' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -170.54 175.94 4.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.97 0.414 . . . . 0.0 111.042 179.602 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.788 HG23 HG12 ' A' ' 42' ' ' ILE . 8.7 p -101.06 151.06 5.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.765 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.543 HD13 ' N ' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -121.37 126.87 50.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.925 0.393 . . . . 0.0 111.188 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.543 ' N ' HD13 ' A' ' 54' ' ' LEU . 15.5 t80 -93.54 110.3 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.547 HD12 ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -94.8 148.53 22.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.754 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.0 t -99.99 -32.98 10.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.39 164.3 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -124.95 136.96 54.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.927 0.394 . . . . 0.0 111.039 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.574 ' O ' HD12 ' A' ' 65' ' ' ILE . 11.0 m-20 -168.63 139.45 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.663 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m 65.81 -169.58 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.806 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 m -152.42 82.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 179.11 -52.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.02 7.03 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.468 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -118.04 -39.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.82 0.343 . . . . 0.0 110.903 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -76.25 -37.89 57.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -58.25 -46.74 85.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -43.75 69.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.29 -52.07 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -51.3 -32.82 26.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.006 0.432 . . . . 0.0 110.539 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 1.6 mt-10 -63.23 -47.31 83.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.509 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.67 ' HB1' ' CE1' ' A' ' 78' ' ' HIS . . . -64.3 -29.7 70.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -57.83 -65.08 3.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 176.05 53.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.002 0.43 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 1.3 tttm -99.85 -76.35 0.55 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.7 HG22 ' OD1' ' A' ' 77' ' ' ASN . 64.1 mt -82.72 -80.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.7 ' OD1' HG22 ' A' ' 76' ' ' ILE . 0.7 OUTLIER -177.94 25.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.605 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.67 ' CE1' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER 53.17 174.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 0.0 111.3 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.73 ' OG1' HG23 ' A' ' 83' ' ' ILE . 65.6 p -124.5 2.46 8.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.016 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.508 HG23 ' C ' ' A' ' 79' ' ' THR . 1.4 p 75.5 -68.03 0.22 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.718 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.462 ' N ' ' OG1' ' A' ' 80' ' ' THR . 19.2 mt -147.76 12.17 0.99 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -73.24 -50.79 20.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.676 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.73 HG23 ' OG1' ' A' ' 79' ' ' THR . 0.2 OUTLIER -52.44 -28.12 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.871 179.726 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -69.37 -51.2 39.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.236 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.74 -17.22 64.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.193 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.76 -35.6 13.04 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.411 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.479 ' O ' HD12 ' A' ' 88' ' ' LEU . 7.2 p80 174.61 75.61 0.0 OUTLIER 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.747 0.308 . . . . 0.0 111.208 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 87' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.917 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.858 0.361 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 3' ' ' ILE . 9.1 tp -165.09 119.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.36 92.17 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.908 HG22 HG22 ' A' ' 45' ' ' ILE . 20.9 p -141.81 109.89 5.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.453 HD13 ' H ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -142.4 145.99 34.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.453 ' H ' HD13 ' A' ' 6' ' ' LEU . 1.9 ptpt -119.96 93.18 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.767 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.92 151.44 25.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.688 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.0 113.35 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.704 ' CZ ' HD12 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -108.11 112.3 24.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.375 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.535 ' OG1' HD13 ' A' ' 15' ' ' LEU . 71.5 p -102.69 120.56 40.79 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 111.81 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 58.51 139.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.08 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.711 ' CG ' ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -50.01 -25.37 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 179.358 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -46.39 88.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.176 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.535 HD13 ' OG1' ' A' ' 11' ' ' THR . 0.3 OUTLIER -80.32 111.36 21.82 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.58 0.229 . . . . 0.0 111.032 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 18' ' ' GLU . 92.1 Cg_endo -92.98 46.94 0.36 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.927 2.418 . . . . 0.0 112.379 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 7.6 tp10 63.9 -65.06 0.13 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.073 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 16' ' ' PRO . 5.8 tp10 -164.79 -29.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -170.84 91.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.897 0.38 . . . . 0.0 111.417 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.08 106.2 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.964 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' ' HB2' ' A' ' 16' ' ' PRO . 43.1 Cg_endo -95.34 159.01 1.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.022 2.481 . . . . 0.0 112.782 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -89.39 8.31 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.406 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.82 HG13 ' HD2' ' A' ' 26' ' ' LYS . 46.8 t -100.21 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.299 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -44.63 -36.7 3.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.991 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.449 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 5.6 p90 -61.77 -46.5 89.3 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.647 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.82 ' HD2' HG13 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -63.49 -24.43 67.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 0.0 110.301 179.373 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.711 ' HB1' ' CG ' ' A' ' 13' ' ' LYS . . . -72.34 -26.88 62.09 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.35 37.52 1.74 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.519 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -77.06 -5.28 48.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.585 0.231 . . . . 0.0 111.481 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.422 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.2 tp10 -161.7 45.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.005 0.431 . . . . 0.0 111.023 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 59.58 45.0 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.745 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -78.15 -19.56 53.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp 64.67 -176.63 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -113.24 98.93 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.98 -174.52 4.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.497 ' HA ' HD11 ' A' ' 12' ' ' LEU . 2.7 p30 -120.54 28.2 8.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -139.31 13.05 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.336 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.2 138.86 36.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' HD13 ' A' ' 40' ' ' ILE . 8.0 tt0 -139.15 135.18 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.694 HG21 HG11 ' A' ' 23' ' ' VAL . 18.9 mm -125.11 142.23 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.84 115.03 14.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.704 HD12 ' CZ ' ' A' ' 10' ' ' PHE . 22.1 mt -98.11 118.06 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.423 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.584 HG21 ' HA2' ' A' ' 73' ' ' GLY . 33.6 mt -113.06 97.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.795 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -105.87 152.1 23.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -179.624 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.908 HG22 HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER -140.13 -176.96 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.447 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -80.01 54.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 111.5 -179.646 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.68 14.51 55.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.467 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 p 58.19 21.08 7.69 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.745 0.307 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 175.17 39.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.25 -162.73 0.08 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.495 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.669 ' ND2' HD11 ' A' ' 45' ' ' ILE . 11.3 t-20 -146.58 -115.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.265 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -121.83 153.65 38.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 111.109 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 53' ' ' VAL . 10.7 p -121.91 106.4 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -100.07 -171.38 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.407 ' HE1' HD22 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -166.87 151.92 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.885 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.642 ' N ' HD22 ' A' ' 56' ' ' LEU . 1.9 mm? -108.3 113.72 27.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 p -89.56 -47.58 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 p -137.66 76.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -87.55 136.43 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -104.4 -89.85 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 p 168.58 45.15 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 m -124.94 154.82 33.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.309 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.63 -28.4 67.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -44.73 83.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.9 mm -80.84 -32.89 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -63.41 -42.28 98.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -70.88 -32.89 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.39 -45.2 88.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.1 tp -75.29 -37.28 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -46.55 89.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.325 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' ALA . 7.9 pt-20 -61.84 -34.62 76.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.424 ' N ' ' HG3' ' A' ' 71' ' ' GLU . . . -81.57 -24.11 36.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.584 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -58.38 -60.28 9.23 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.69 29.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.651 0.262 . . . . 0.0 111.566 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -100.2 -73.3 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.188 0.518 . . . . 0.0 110.766 179.64 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 tp -100.13 137.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.023 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -66.48 170.57 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.806 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.49 71.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.587 ' C ' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER -92.67 145.63 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.587 HG23 ' C ' ' A' ' 79' ' ' THR . 1.4 p 81.83 -36.66 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.483 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 64.38 15.36 9.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 85' ' ' GLU . 13.1 mtpt -77.59 -22.89 50.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' CD2' ' A' ' 87' ' ' HIS . 8.7 pt -74.08 -33.18 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 110.261 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -69.23 -45.08 70.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.203 179.354 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -73.55 -12.16 60.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.385 179.052 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.07 -29.48 9.0 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.41 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 83' ' ' ILE . 4.7 p80 -104.19 -30.18 10.36 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.813 0.34 . . . . 0.0 110.956 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . 12.1 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.826 0.346 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.2 mp -59.26 103.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.13 97.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.69 86.48 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 6' ' ' LEU . 5.3 tp -60.05 129.91 44.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -141.63 72.64 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.0 135.48 15.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.28 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 mt -104.52 130.64 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.085 0.469 . . . . 0.0 111.399 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.704 ' CE2' HG22 ' A' ' 23' ' ' VAL . 3.1 m-85 -104.31 122.93 46.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.273 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.733 ' O ' HD12 ' A' ' 12' ' ' LEU . 9.9 t -100.83 146.07 27.76 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 11' ' ' THR . 0.9 OUTLIER 38.33 -145.73 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.494 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.436 ' H ' ' HB2' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -87.65 -43.19 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.703 0.287 . . . . 0.0 111.174 -179.33 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' PRO . 1.5 t70 -56.52 -23.13 37.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.042 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.693 HD21 HD12 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -13.5 78.28 0.02 OUTLIER Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.588 ' O ' ' N ' ' A' ' 18' ' ' GLU . 93.8 Cg_endo -98.08 47.53 0.09 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 122.86 2.373 . . . . 0.0 113.255 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 1.6 tt0 44.53 -82.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.216 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 16' ' ' PRO . 25.1 tt0 -162.48 31.3 0.11 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.168 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.91 -61.03 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.362 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HG3' ' HD2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -149.94 151.96 33.29 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-O 120.72 0.295 . . . . 0.0 111.295 -179.568 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 24.4 Cg_exo -63.55 114.46 2.55 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.975 2.45 . . . . 0.0 112.607 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.21 -61.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.704 HG22 ' CE2' ' A' ' 10' ' ' PHE . 35.4 m -71.23 -9.41 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.65 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -48.49 -27.93 3.01 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.878 0.37 . . . . 0.0 110.665 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -60.23 -37.59 80.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.391 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HG3' HD12 ' A' ' 29' ' ' LEU . 16.9 tttm -59.67 -41.22 90.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.57 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.44 70.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.475 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.55 11.08 56.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.67 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 ' HG3' ' A' ' 26' ' ' LYS . 4.6 mt -50.57 -24.94 3.58 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.88 0.372 . . . . 0.0 111.345 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 6.9 pt-20 -176.28 43.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.042 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER 47.4 40.22 10.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.643 -179.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -54.04 -66.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.204 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -164.07 106.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.35 78.85 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 t -89.12 164.69 14.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -98.53 -15.5 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.6 25.83 11.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.178 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.35 171.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.772 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -155.96 116.86 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.232 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.693 HD12 HD21 ' A' ' 15' ' ' LEU . 18.7 mt -137.21 160.91 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.496 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -152.27 137.93 17.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.961 0.41 . . . . 0.0 111.86 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.748 HD12 HG22 ' A' ' 53' ' ' VAL . 22.7 mm -109.47 127.1 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.536 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.776 HG22 HD11 ' A' ' 45' ' ' ILE . 31.1 mt -111.46 123.48 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 111.76 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.603 ' C ' HD12 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -130.78 142.67 50.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.016 179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.776 HD11 HG22 ' A' ' 43' ' ' ILE . 3.7 mp -145.97 66.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.372 . . . . 0.0 111.634 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.43 29.44 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.07 56.7 3.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.271 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 25.7 p 47.34 70.93 0.36 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 48' ' ' THR . 13.5 pt20 45.73 52.77 9.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.016 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.19 154.91 42.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -148.9 -177.29 5.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.768 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -124.97 130.67 52.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.748 HG22 HD12 ' A' ' 42' ' ' ILE . 28.1 t -108.27 99.22 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -109.47 145.64 35.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.038 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -99.87 132.83 44.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -108.65 128.92 55.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.94 35.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.3 p 63.21 135.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.988 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -159.39 28.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 45.49 -169.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.441 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.16 132.0 39.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.596 HG13 ' HB2' ' A' ' 64' ' ' GLU . 13.5 p -179.09 160.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.514 ' N ' HG22 ' A' ' 62' ' ' VAL . 3.7 p30 -53.33 -22.88 7.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.603 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.596 ' HB2' HG13 ' A' ' 62' ' ' VAL . 9.0 mm-40 -59.57 -50.64 73.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' ' CE1' ' A' ' 59' ' ' TYR . 3.3 pt -64.8 -24.55 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.303 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' N ' HG13 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -77.81 -34.48 52.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.686 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -86.82 -37.84 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -56.0 26.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.2 -51.19 64.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.745 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.17 -31.08 63.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.546 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 4.5 mm-40 -66.33 -44.21 83.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.419 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' CE1' ' A' ' 78' ' ' HIS . . . -77.49 -25.22 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.055 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.516 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -57.05 -59.22 11.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.19 58.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 111.217 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -95.77 177.95 5.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.947 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.478 HD13 ' N ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -56.42 117.82 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.421 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 t30 54.93 104.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.363 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.4 ' CE1' ' O ' ' A' ' 72' ' ' ALA . 23.0 t-80 -142.21 77.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.1 t -177.31 37.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.968 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 82' ' ' LYS . 2.1 t -111.12 -17.32 13.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tp 66.96 18.46 10.6 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.497 ' H ' HG23 ' A' ' 80' ' ' THR . 14.8 mmtt -78.88 -55.62 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.771 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 pt -55.49 -33.62 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.781 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.31 -36.52 77.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.125 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.67 -13.97 60.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.626 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.51 -29.75 7.26 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.851 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 3.8 p-80 -111.89 -33.53 6.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.757 0.313 . . . . 0.0 111.089 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 87' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.1 t80 . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.778 0.323 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER 48.54 -175.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.624 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . 0.636 ' N ' HG23 ' A' ' 3' ' ' ILE . . . -148.83 81.89 1.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.1 p -101.81 81.88 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.17 127.7 43.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.542 ' NZ ' ' HB1' ' A' ' 41' ' ' ALA . 17.7 tptt -107.63 110.88 22.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.94 168.2 13.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.435 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 tt -154.65 131.32 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.279 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 17' ' ' GLU . 3.5 m-85 -104.15 138.89 39.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.639 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.706 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -108.72 105.73 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.985 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.706 HD23 ' C ' ' A' ' 11' ' ' THR . 1.0 OUTLIER 49.24 132.62 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.526 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -31.65 0.08 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.673 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.55 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.1 t70 -55.55 -40.31 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.54 95.91 4.8 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.15 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 65.1 Cg_endo -86.63 69.62 4.24 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.686 2.257 . . . . 0.0 112.501 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 4.5 tp10 64.95 -65.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.054 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' PRO . 38.2 tt0 -165.75 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -150.56 -84.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -72.22 129.3 87.8 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.675 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -87.73 116.35 1.08 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.924 2.416 . . . . 0.0 112.158 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.477 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -100.15 -70.16 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.127 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 40' ' ' ILE . 12.3 p -53.1 -19.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.793 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -44.29 -36.61 2.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 6.8 p90 -65.23 -33.67 76.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.674 0.273 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.464 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -71.78 -30.29 65.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.96 0.409 . . . . 0.0 110.264 179.505 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.93 61.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.54 25.05 5.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.617 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.66 -17.47 55.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 111.207 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.69 39.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.019 0.438 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.27 42.09 31.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HD3' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -79.11 142.39 36.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.903 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.813 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -115.78 110.61 19.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.813 HD13 ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -119.81 151.44 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -168.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.39 80.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -170.19 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.051 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -48.8 95.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.427 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -108.73 125.65 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.679 HD12 ' CE1' ' A' ' 55' ' ' PHE . 3.4 mm -108.48 163.52 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.215 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.542 ' HB1' ' NZ ' ' A' ' 7' ' ' LYS . . . -136.2 119.27 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.0 mt -102.3 125.56 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.681 HG22 ' CD1' ' A' ' 45' ' ' ILE . 37.6 mt -128.57 137.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.81 129.1 27.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.681 ' CD1' HG22 ' A' ' 43' ' ' ILE . 4.8 mp -145.53 73.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.567 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.35 -81.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.3 37.96 1.8 Allowed Glycine 0 C--N 1.334 0.425 0 C-N-CA 121.232 -0.509 . . . . 0.0 112.907 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.3 43.51 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 110.525 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 68.59 66.4 0.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.818 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.6 p -161.1 -174.56 4.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -153.83 144.57 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -90.78 159.89 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.9 t -137.45 141.48 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -137.75 130.79 30.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.679 ' CE1' HD12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -92.84 112.42 24.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -91.11 86.37 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.816 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -30.15 60.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.82 93.72 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.49 ' CZ ' ' HB ' ' A' ' 65' ' ' ILE . 6.1 t80 -105.04 91.89 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.709 ' O ' HG21 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -123.44 -178.08 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.78 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p 60.69 -179.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.418 ' HA ' ' CG1' ' A' ' 65' ' ' ILE . 5.9 m -146.53 178.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t0 74.7 -57.22 0.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.498 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -40.3 25.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.361 . . . . 0.0 110.949 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.709 HG21 ' O ' ' A' ' 60' ' ' ASN . 2.5 pp -61.18 -32.17 52.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -75.82 -43.67 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.004 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -74.41 -37.2 63.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.53 -40.81 92.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.805 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 69' ' ' LEU . 4.0 tp -71.86 -44.26 64.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.737 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.71 -38.22 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.738 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 3.7 tt0 -68.17 -43.02 79.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.742 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB1' ' HE2' ' A' ' 78' ' ' HIS . . . -85.19 10.03 13.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.644 ' O ' HD13 ' A' ' 45' ' ' ILE . . . -97.95 -59.08 0.96 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.731 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.16 -2.76 6.98 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -77.67 -157.19 0.09 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.119 -0.233 . . . . 0.0 110.616 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 77' ' ' ASN . 3.0 mt -44.62 159.15 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-O 120.772 0.32 . . . . 0.0 111.373 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.507 ' N ' HG22 ' A' ' 76' ' ' ILE . 36.0 m-80 -78.87 56.64 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.283 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.467 ' HE2' ' HB1' ' A' ' 72' ' ' ALA . 23.9 m170 45.01 29.65 0.49 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.533 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.662 HG23 ' N ' ' A' ' 80' ' ' THR . 0.6 OUTLIER 45.38 -166.03 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.662 ' N ' HG23 ' A' ' 79' ' ' THR . 10.1 t -69.54 62.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 111.4 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.915 HD23 HD13 ' A' ' 84' ' ' LEU . 3.8 mt 44.63 27.77 0.27 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.942 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.05 -42.01 27.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.819 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 84' ' ' LEU . 12.0 tt -57.9 -41.21 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.701 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.915 HD13 HD23 ' A' ' 81' ' ' LEU . 4.6 mp -63.41 -43.34 97.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.093 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.75 -19.69 65.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.502 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.8 -32.78 23.29 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.691 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -171.19 68.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.857 0.361 . . . . 0.0 111.321 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.985 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.453 ' CD2' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER . . . . . 0 CA--C 1.527 0.058 0 CA-C-O 120.81 0.338 . . . . 0.0 110.802 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.581 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.8 mp 62.2 112.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.08 97.42 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.031 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.89 144.26 52.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.38 140.13 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . 0.608 ' HA ' HG22 ' A' ' 43' ' ' ILE . 6.8 mtpt -148.74 136.97 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.89 136.61 5.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.575 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.06 105.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.784 ' HB3' HD13 ' A' ' 15' ' ' LEU . 3.3 m-85 -100.06 137.37 38.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.77 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 14' ' ' ASP . 3.1 p -103.49 114.99 29.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.887 HD13 ' CB ' ' A' ' 38' ' ' ASP . 9.0 tp -2.4 -79.01 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.454 ' NZ ' ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -72.54 -43.98 62.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.358 -179.104 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' THR . 12.2 m-20 -91.5 38.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.223 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.059 HD12 HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -47.07 -62.6 1.89 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.943 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.456 ' HB3' ' HA ' ' A' ' 21' ' ' PRO . 90.0 Cg_endo -78.18 50.7 3.42 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.758 2.305 . . . . 0.0 113.159 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -40.38 -31.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.235 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 26.4 mt-10 -65.56 -68.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.829 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -170.89 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.576 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 12.7 tpt85 -53.78 130.32 56.25 Favored Pre-proline 0 CA--C 1.531 0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.805 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 31.9 Cg_endo -93.15 108.94 0.19 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.282 2.655 . . . . 0.0 112.67 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -100.45 -81.91 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.257 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 1.059 HG13 HD12 ' A' ' 15' ' ' LEU . 3.1 p -72.06 -7.72 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.578 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.406 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 1.3 p-10 -51.14 -28.16 10.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.905 0.383 . . . . 0.0 110.006 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 23' ' ' VAL . 5.3 p90 -54.09 -37.71 64.54 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.014 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -44.53 67.52 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.332 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB1' ' NZ ' ' A' ' 13' ' ' LYS . . . -60.03 -27.68 67.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.074 0.464 . . . . 0.0 109.963 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.63 32.34 4.87 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.107 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.3 tt -71.73 52.76 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER 85.26 62.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.305 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 tptp 61.23 45.95 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.093 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -65.52 -66.04 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.538 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.515 ' C ' HD13 ' A' ' 34' ' ' LEU . 3.4 tptp -176.87 122.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.581 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.624 ' H ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -107.48 42.48 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.106 0.479 . . . . 0.0 110.89 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' ASP . 31.4 t -100.41 94.84 6.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.512 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.77 83.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.968 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 3.6 m-20 -170.26 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.914 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.887 ' CB ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -45.7 140.11 3.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.182 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HG2' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -100.33 133.45 44.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.282 -179.644 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.527 HD12 HD21 ' A' ' 15' ' ' LEU . 33.6 mt -147.96 125.94 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.823 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.04 142.38 51.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.918 0.39 . . . . 0.0 111.424 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.797 HG13 HG23 ' A' ' 53' ' ' VAL . 4.1 mp -122.93 134.84 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.787 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 7' ' ' LYS . 33.0 pt -139.11 155.83 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 111.546 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -119.52 165.44 14.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.477 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 73' ' ' GLY . 9.9 pt -149.6 41.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 111.554 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.61 25.44 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' C ' HG23 ' A' ' 48' ' ' THR . . . -67.83 73.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 49' ' ' GLN . 1.7 p 69.21 -63.25 0.38 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.647 0.261 . . . . 0.0 110.758 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . 0.43 ' N ' ' OG1' ' A' ' 48' ' ' THR . 1.4 tt0 179.24 59.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.6 p -169.87 -174.46 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.58 165.23 31.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -113.87 135.01 54.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.797 HG23 HG13 ' A' ' 42' ' ' ILE . 12.2 p -100.54 128.26 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mt -126.28 133.59 51.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.92 133.26 35.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.639 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.422 HD12 ' HG2' ' A' ' 39' ' ' GLU . 14.9 mt -92.57 79.54 4.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.947 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -75.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.77 76.02 4.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.957 ' CD2' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -126.79 94.93 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -137.17 -62.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.4 p -88.32 132.11 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.2 m -61.3 179.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.13 -66.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.18 -28.87 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.957 HD12 ' CD2' ' A' ' 59' ' ' TYR . 26.4 pt -95.99 -38.8 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -60.81 -49.1 78.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -66.0 -31.89 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.18 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 tp -65.44 -50.73 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.25 -33.43 58.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 0.0 110.544 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 17.3 mt-10 -62.96 -43.25 99.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.345 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.28 -20.33 51.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.067 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.529 ' O ' HG21 ' A' ' 45' ' ' ILE . . . -60.32 -65.62 3.24 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.65 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.39 50.2 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.948 0.404 . . . . 0.0 111.484 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.02 159.08 15.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.505 ' H ' HD12 ' A' ' 76' ' ' ILE . 3.3 mp -56.09 129.84 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.242 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.77 96.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -101.94 -31.46 10.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.676 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -58.03 -82.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.709 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' THR . 0.1 OUTLIER 50.18 -65.21 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.317 0.647 . . . . 0.0 112.284 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.676 ' N ' ' O ' ' A' ' 79' ' ' THR . 0.3 OUTLIER 80.17 -11.3 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.145 -178.762 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -53.41 6.54 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.232 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.1 -34.24 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.013 0.435 . . . . 0.0 110.263 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 tp -66.49 -36.52 82.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.153 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.68 -28.08 67.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.623 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -111.4 13.65 28.02 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.828 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -113.34 -35.66 5.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.797 0.332 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 88' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.643 0.258 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mt 52.6 85.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.776 0.322 . . . . 0.0 111.302 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.41 107.65 18.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.4 p -78.51 108.69 12.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 102.74 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -98.46 118.67 35.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.788 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.47 112.89 2.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.66 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -90.29 78.74 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.648 ' CE2' HD12 ' A' ' 42' ' ' ILE . 6.7 m-30 -94.19 87.67 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.2 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.7 t -106.18 158.24 16.98 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER 39.49 -166.49 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.807 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.532 ' NZ ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -57.86 -22.66 49.18 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.822 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . 0.486 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 8.2 t70 -86.63 16.12 4.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.305 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 16' ' ' PRO . 3.9 pp -70.41 -24.22 0.75 Allowed Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.747 ' N ' HD12 ' A' ' 15' ' ' LEU . 76.6 Cg_exo -54.39 59.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.483 2.122 . . . . 0.0 113.878 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 15' ' ' LEU . 2.8 tp10 31.28 36.13 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.136 0.574 . . . . 0.0 112.446 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' PRO . 2.6 tm-20 46.9 27.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.301 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 55.7 m-85 -159.0 -79.63 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.35 126.38 27.65 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.005 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.429 ' CA ' ' HB3' ' A' ' 16' ' ' PRO . 18.4 Cg_exo -66.12 112.47 2.3 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.569 2.18 . . . . 0.0 112.635 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.03 -67.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.418 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.805 HG13 HD11 ' A' ' 42' ' ' ILE . 13.5 m -81.28 -3.63 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.179 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.59 -24.37 60.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.801 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 1.7 p90 -65.26 -37.85 88.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.491 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.489 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -64.25 -26.21 68.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.482 179.509 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -30.07 66.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.61 27.25 5.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.685 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.85 HD13 ' O ' ' A' ' 29' ' ' LEU . 3.3 tm? -80.07 -18.72 49.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.727 0.299 . . . . 0.0 111.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 1.2 tt0 -149.35 39.1 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.146 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 44.08 38.13 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.826 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HD2' HD12 ' A' ' 34' ' ' LEU . 1.1 tmtp? -51.09 -26.14 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.245 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.713 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER 63.21 123.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.116 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.713 HD13 ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -156.68 149.44 23.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.666 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 t -100.2 -81.92 0.46 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -142.79 18.68 1.99 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.222 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.99 -18.94 16.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.988 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 88.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.005 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.709 ' HB3' HD12 ' A' ' 56' ' ' LEU . 4.2 tt0 -98.51 121.18 40.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.462 HG21 HG21 ' A' ' 23' ' ' VAL . 11.2 mm -119.5 150.66 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.7 113.22 4.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.805 HD11 HG13 ' A' ' 23' ' ' VAL . 15.1 mt -98.42 112.52 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 mt -105.14 134.09 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.805 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . 0.456 ' HB3' ' HA ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -153.82 125.13 7.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.243 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . 0.605 HD11 ' O ' ' A' ' 73' ' ' GLY . 3.7 mp -81.58 -29.32 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.257 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -129.88 -175.07 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.104 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.76 -23.27 3.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.784 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.9 t -103.5 -27.39 12.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -102.98 -71.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.04 141.33 40.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.947 0.403 . . . . 0.0 111.181 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 44' ' ' SER . 8.8 t-20 -179.96 75.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.46 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -118.39 154.75 31.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.411 . . . . 0.0 111.49 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 53' ' ' VAL . 7.1 p -130.36 121.85 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.808 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 mt -100.21 155.31 17.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.978 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -113.56 140.26 48.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.788 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -145.79 132.18 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -88.54 -55.71 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.59 148.47 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CE2' HD13 ' A' ' 65' ' ' ILE . 10.2 t80 -137.8 139.18 39.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.444 ' ND2' HG13 ' A' ' 62' ' ' VAL . 4.8 p-10 -142.08 -171.82 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.639 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.6 p -103.62 109.82 21.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.688 ' CG2' HG23 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -151.04 19.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.657 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.17 -58.11 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.723 0.297 . . . . 0.0 111.644 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -58.17 -41.98 85.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.966 0.413 . . . . 0.0 110.686 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.786 HD12 ' N ' ' A' ' 66' ' ' ARG . 2.1 pp -52.06 -46.01 42.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.086 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.786 ' N ' HD12 ' A' ' 65' ' ' ILE . 5.7 ptm180 -81.82 -36.3 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -59.54 -35.66 74.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.48 -44.05 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.25 -53.97 50.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.36 -36.42 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.46 -29.24 46.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.27 69.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . 0.605 ' O ' HD11 ' A' ' 45' ' ' ILE . . . -90.19 -31.29 10.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.537 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.68 54.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.031 0.443 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -169.36 0.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.996 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mt -84.9 -61.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.233 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -105.95 -25.82 11.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 64.52 -176.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t 43.24 92.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.462 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.513 HG21 ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -122.3 -56.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.67 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 80' ' ' THR . 11.3 mt 71.73 -42.62 0.54 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.936 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -54.06 -44.56 71.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.592 0.234 . . . . 0.0 111.359 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.513 ' CD1' HG21 ' A' ' 80' ' ' THR . 10.5 pt -61.3 -35.14 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.373 . . . . 0.0 110.602 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.0 -34.45 78.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.301 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -24.16 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.509 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.11 -31.74 37.82 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.693 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -132.05 34.58 3.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 111.349 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.971 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 p90 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.803 0.335 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.99 124.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.55 108.38 19.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.0 167.85 11.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.61 90.72 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -112.11 154.08 26.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.33 164.83 38.2 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.641 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.3 mp -115.56 111.59 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.906 0.384 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 3.4 m-30 -109.52 111.32 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.813 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.421 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -76.54 133.69 39.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.348 179.578 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.749 HD22 HG13 ' A' ' 40' ' ' ILE . 2.0 mm? -45.08 -31.53 1.41 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.688 0.28 . . . . 0.0 111.583 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CE ' ' HB3' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.05 -66.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.655 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.29 48.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 24' ' ' ASP . 46.5 mt -50.52 -47.57 83.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.549 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PRO . . . . . 0.547 ' HD3' ' HB2' ' A' ' 15' ' ' LEU . 8.2 Cg_endo -89.26 47.76 1.08 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.814 2.343 . . . . 0.0 112.608 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.9 tt0 -16.65 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.988 0.805 . . . . 0.0 112.145 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 2.1 mm-40 -77.52 -68.12 0.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.722 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.609 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 94.7 m-85 -168.62 -63.22 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -40.72 100.6 0.22 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.476 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.1 99.35 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.937 2.425 . . . . 0.0 112.449 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.22 -72.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.723 HG23 HD13 ' A' ' 15' ' ' LEU . 3.7 m -65.74 -7.01 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.849 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.791 ' HA ' HD12 ' A' ' 15' ' ' LEU . 17.6 p-10 -48.03 -28.91 3.08 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.043 0.449 . . . . 0.0 110.572 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.5 p90 -63.16 -30.19 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.642 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -69.54 -31.03 68.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.469 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.68 ' HB2' HD12 ' A' ' 12' ' ' LEU . . . -76.6 -13.56 60.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.863 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.69 26.7 2.38 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.802 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' TYR . 1.4 pt? -66.54 -14.2 62.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.74 0.305 . . . . 0.0 111.445 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -171.41 66.54 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.664 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 1.8 pttp 51.47 37.49 19.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.322 0.582 . . . . 0.0 110.788 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.709 ' O ' HD22 ' A' ' 34' ' ' LEU . 41.3 tttt -99.45 28.82 4.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.442 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.8 tttp -78.28 88.34 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.709 HD22 ' O ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -93.26 -173.74 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.27 -173.09 2.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -59.62 90.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.818 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -161.85 -43.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.421 ' HB3' ' CG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -82.68 157.42 23.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.902 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.471 ' N ' HD23 ' A' ' 12' ' ' LEU . 17.0 mt-10 -149.52 169.64 20.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.749 HG13 HD22 ' A' ' 12' ' ' LEU . 19.8 mt -136.09 159.92 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.271 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.495 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -128.37 113.14 15.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.797 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.498 ' H ' HD13 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -106.74 135.5 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.252 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 mt -138.83 125.28 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.82 118.33 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.4 mm -81.07 -37.91 16.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -165.38 119.63 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.661 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.9 -29.1 61.48 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.605 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.3 m -83.24 -28.4 29.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -82.71 -67.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.15 165.33 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -114.57 168.54 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.491 ' CE1' ' CE1' ' A' ' 78' ' ' HIS . 37.4 m-70 -137.47 142.46 41.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 53' ' ' VAL . 11.8 p -134.34 121.93 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.5 mt -132.44 143.28 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -107.44 145.44 32.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 41' ' ' ALA . 9.9 mt -106.23 119.94 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -42.52 60.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.46 -82.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.5 t80 49.7 94.03 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.173 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -148.48 98.79 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.644 ' O ' HG13 ' A' ' 62' ' ' VAL . 23.1 t 57.4 81.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 61' ' ' SER . 1.8 m -162.81 119.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.82 -27.05 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.36 -58.07 9.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.44 HD12 HG21 ' A' ' 62' ' ' VAL . 29.7 mt -65.7 -35.88 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -61.54 -37.82 85.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -83.96 -31.09 25.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -68.56 -54.29 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.5 -51.45 69.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -52.82 -28.74 24.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.586 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 75' ' ' LYS . 2.5 mt-10 -67.67 -45.47 75.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -15.25 63.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.287 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.1 -67.26 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.815 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.33 -6.02 12.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -100.01 -145.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.587 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.6 mt -40.0 134.39 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.834 0.35 . . . . 0.0 111.562 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -55.58 177.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.494 ' O ' HG23 ' A' ' 83' ' ' ILE . 11.7 m80 -81.11 -24.6 37.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 p 59.02 54.4 5.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 p 57.79 -164.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.62 -4.79 36.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.474 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -48.61 -31.7 7.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.712 0.291 . . . . 0.0 111.208 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 78' ' ' HIS . 6.0 pt -63.87 -33.68 63.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.747 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.46 HD12 HG13 ' A' ' 83' ' ' ILE . 4.0 mp -66.08 -40.64 90.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.172 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -25.31 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.342 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.28 -35.72 47.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.516 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.14 76.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.484 ' OXT' HD13 ' A' ' 88' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.952 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.468 HD12 ' HA ' ' A' ' 1' ' ' LEU . 4.7 tp . . . . . 0 N--CA 1.486 1.332 0 CA-C-O 120.815 0.341 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -168.9 -60.38 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -58.25 135.07 22.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.186 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.7 95.01 4.75 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.041 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 46.0 p -134.03 142.04 47.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.916 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.28 109.42 10.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.945 -179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 13.8 tttp -103.57 140.12 37.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.75 148.62 20.41 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.402 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.7 mt -108.27 92.91 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.988 0.423 . . . . 0.0 111.201 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.574 ' HD2' HD12 ' A' ' 15' ' ' LEU . 3.6 m-85 -89.38 119.55 29.93 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.965 -0.562 . . . . 0.0 110.7 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.613 ' O ' HD12 ' A' ' 12' ' ' LEU . 3.9 p -143.65 162.71 35.23 Favored 'General case' 0 CA--C 1.515 -0.397 0 CA-C-O 121.599 0.714 . . . . 0.0 112.355 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 45.35 -165.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 114.738 -1.119 . . . . 0.0 110.805 -179.803 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.426 ' HE2' HD22 ' A' ' 34' ' ' LEU . 25.3 mmtp -72.51 -18.41 61.66 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.592 179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.402 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 21.5 t70 -89.08 15.47 8.67 Favored 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.637 179.07 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.611 ' CD1' HG23 ' A' ' 23' ' ' VAL . 0.6 OUTLIER -59.27 -31.02 8.63 Favored Pre-proline 0 CA--C 1.536 0.414 0 N-CA-C 113.138 0.792 . . . . 0.0 113.138 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.591 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 33.3 Cg_exo -62.06 64.57 0.12 Allowed 'Trans proline' 0 C--N 1.354 0.82 0 C-N-CA 122.345 2.03 . . . . 0.0 112.934 -179.284 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.499 ' C ' ' O ' ' A' ' 16' ' ' PRO . 10.7 mt-10 -20.64 97.29 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.931 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.441 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 0.6 OUTLIER 79.87 -62.36 0.27 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.182 -179.698 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.441 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 4.6 m-85 -171.43 37.95 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.713 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.586 -179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.6 mmm180 -112.97 76.64 2.33 Favored Pre-proline 0 C--N 1.33 -0.263 0 C-N-CA 121.055 -0.258 . . . . 0.0 111.46 -179.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 86.0 Cg_endo -82.3 55.72 5.48 Favored 'Trans proline' 0 C--N 1.346 0.4 0 C-N-CA 122.617 2.212 . . . . 0.0 112.388 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -74.0 -68.62 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.65 ' CG1' HG11 ' A' ' 53' ' ' VAL . 3.5 m -62.31 -13.81 11.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.774 -179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.3 t0 -46.26 -30.11 1.89 Allowed 'General case' 0 C--N 1.333 -0.128 0 CA-C-O 120.869 0.366 . . . . 0.0 110.966 179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.1 p90 -61.11 -34.8 75.54 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.812 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.93 -35.13 79.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.573 179.72 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.78 -26.43 63.34 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.756 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -118.03 18.12 11.51 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.573 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.94 HD13 ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -57.54 -20.63 33.08 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.786 0.327 . . . . 0.0 111.458 -179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.94 ' N ' HD13 ' A' ' 29' ' ' LEU . 16.5 tt0 -179.73 45.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.719 179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 61.43 46.12 7.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.775 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.6 ttmt -68.65 -168.21 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.833 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 mtmm -59.45 127.83 34.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.843 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.426 HD22 ' HE2' ' A' ' 13' ' ' LYS . 18.2 mt -144.71 54.04 1.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.948 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.5 m -100.22 39.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.063 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 56.65 22.52 6.85 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.997 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -129.15 24.86 5.56 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.901 179.836 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -76.7 86.8 3.34 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.569 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.597 ' CB ' HG22 ' A' ' 11' ' ' THR . 7.0 pt-20 -97.62 125.68 42.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.312 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.17 129.63 17.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.834 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.67 123.99 35.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.092 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.524 HG12 HG12 ' A' ' 53' ' ' VAL . 28.5 mt -118.8 120.67 64.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.082 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.877 HD13 ' HA2' ' A' ' 73' ' ' GLY . 2.6 mt -127.44 127.26 68.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.201 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 21.0 p -107.02 121.68 44.95 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.781 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 29.0 pt -120.15 179.37 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.029 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.42 65.13 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.001 0.429 . . . . 0.0 110.866 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -105.89 50.82 0.79 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.373 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 61.75 43.94 9.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.035 0.445 . . . . 0.0 110.758 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 4.4 tp60 66.38 67.39 0.45 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.951 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 44.6 m -163.92 -174.26 3.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.738 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 p30 -158.68 -178.51 7.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.89 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -142.35 160.28 40.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.954 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.65 HG11 ' CG1' ' A' ' 23' ' ' VAL . 0.9 OUTLIER -114.2 168.19 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.977 179.887 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.484 ' CD2' HD21 ' A' ' 84' ' ' LEU . 0.7 OUTLIER -156.16 114.16 3.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.927 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.535 ' HB3' HD11 ' A' ' 88' ' ' LEU . 20.7 t80 -71.59 132.1 44.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.715 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.553 HD23 ' HB2' ' A' ' 59' ' ' TYR . 7.0 mp -117.41 135.47 53.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.977 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 26.9 m -99.71 -33.98 10.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.751 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 t -166.17 114.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.553 ' HB2' HD23 ' A' ' 56' ' ' LEU . 72.9 t80 -110.05 -24.78 10.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.064 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -73.2 103.02 3.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.872 0.368 . . . . 0.0 110.849 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 21.1 t -167.87 -81.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.791 HG13 ' H ' ' A' ' 64' ' ' GLU . 4.3 p -163.62 177.39 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.058 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.711 ' H ' HG22 ' A' ' 62' ' ' VAL . 0.4 OUTLIER -42.94 -25.92 0.12 Allowed 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 111.906 0.335 . . . . 0.0 111.906 -179.722 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.791 ' H ' HG13 ' A' ' 62' ' ' VAL . 1.8 tm-20 -41.79 -32.36 0.39 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.492 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.626 HD13 ' O ' ' A' ' 62' ' ' VAL . 0.1 OUTLIER -110.5 -20.63 6.12 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.721 0.296 . . . . 0.0 111.33 179.489 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.7 ttm-85 -57.91 -51.52 69.28 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.891 0.377 . . . . 0.0 110.709 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 2.5 tttt -76.67 -31.61 57.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.672 179.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -64.86 -36.92 85.9 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 10.6 tp -78.78 -39.05 36.97 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.687 179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -56.16 -43.89 78.78 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.999 0.428 . . . . 0.0 110.555 179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -70.86 -45.8 63.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.252 179.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -55.11 -24.33 25.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.061 179.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.877 ' HA2' HD13 ' A' ' 43' ' ' ILE . . . -81.96 -37.17 16.58 Favored Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.596 179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -161.94 72.62 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.824 0.345 . . . . 0.0 111.387 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -100.0 -168.75 1.64 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.776 179.678 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.479 HG23 ' N ' ' A' ' 77' ' ' ASN . 6.9 tp -86.21 -44.83 16.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.802 -179.556 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.479 ' N ' HG23 ' A' ' 76' ' ' ILE . 1.5 m120 -85.7 -88.27 0.12 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.57 -0.286 . . . . 0.0 111.257 -179.457 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 57.06 175.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.794 0.33 . . . . 0.0 110.968 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 57.52 30.89 19.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.172 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 1.9 t -100.77 -27.67 13.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.938 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.513 HD12 HD13 ' A' ' 84' ' ' LEU . 2.9 tp 77.27 -0.46 2.88 Favored 'General case' 0 CA--C 1.53 0.204 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.576 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.92 -61.72 1.93 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.729 0.3 . . . . 0.0 110.669 179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 25.4 pt -54.81 -29.92 22.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.445 179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.513 HD13 HD12 ' A' ' 81' ' ' LEU . 1.2 mt -68.92 -36.91 78.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.063 179.239 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -65.78 -29.83 70.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.46 179.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.99 -27.21 60.72 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.425 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -94.1 -52.17 4.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.856 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.535 HD11 ' HB3' ' A' ' 55' ' ' PHE . 4.1 mm? . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.192 -0.908 . . . . 0.0 110.869 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.581 ' O ' HD12 ' A' ' 1' ' ' LEU . 1.7 pp . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 120.797 0.332 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -141.15 27.13 1.97 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.944 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 29.2 mm -74.88 140.51 17.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -117.37 93.43 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.152 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 23.0 p -98.57 74.36 2.12 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.596 179.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 tp -76.54 153.09 35.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.926 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -155.66 75.92 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.966 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -67.16 107.52 2.06 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.51 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 10.7 pt -73.13 82.26 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.95 0.405 . . . . 0.0 111.374 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.887 ' HB3' HD12 ' A' ' 15' ' ' LEU . 2.2 m-30 -69.94 135.34 49.35 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.448 179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.723 HG22 ' HG2' ' A' ' 39' ' ' GLU . 64.7 p -138.56 146.78 42.26 Favored 'General case' 0 CA--C 1.517 -0.312 0 CA-C-O 121.762 0.792 . . . . 0.0 112.798 -178.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.55 HD11 ' HB2' ' A' ' 14' ' ' ASP . 0.6 OUTLIER 41.38 -164.31 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.289 0 CA-C-N 114.223 -1.353 . . . . 0.0 111.701 179.605 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -68.99 -21.07 64.17 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.294 -179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.55 ' HB2' HD11 ' A' ' 12' ' ' LEU . 0.8 OUTLIER -86.7 14.36 7.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.88 0.371 . . . . 0.0 110.96 179.378 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.012 HD23 ' HD3' ' A' ' 16' ' ' PRO . 1.3 pt? -68.11 -18.63 0.43 Allowed Pre-proline 0 CA--C 1.542 0.664 0 N-CA-C 113.615 0.969 . . . . 0.0 113.615 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 1.012 ' HD3' HD23 ' A' ' 15' ' ' LEU . 3.8 Cg_exo -79.23 53.82 4.89 Favored 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 121.729 1.619 . . . . 0.0 112.52 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.69 80.83 1.54 Allowed 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.714 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -178.41 -31.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.457 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -166.52 -79.33 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.175 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.18 172.46 5.25 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.964 -179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.405 ' HA ' ' CG ' ' A' ' 16' ' ' PRO . 85.5 Cg_exo -45.62 92.67 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.418 0 C-N-CA 122.677 2.252 . . . . 0.0 112.692 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 23.1 t80 -85.78 -75.89 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.608 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.761 ' CG2' HD11 ' A' ' 15' ' ' LEU . 29.3 m -62.38 -14.29 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.609 -0.268 . . . . 0.0 111.256 179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -47.24 -28.3 1.86 Allowed 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.592 -0.276 . . . . 0.0 110.981 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 3.6 p90 -62.09 -33.48 74.51 Favored 'General case' 0 CA--C 1.521 -0.173 0 CA-C-O 120.778 0.323 . . . . 0.0 110.402 179.643 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.481 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 20.5 tttt -79.78 -28.92 40.26 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 178.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -77.25 -21.87 53.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.348 179.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.64 36.03 1.74 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.352 179.816 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.481 ' H ' HD23 ' A' ' 29' ' ' LEU . 1.4 pt? -47.96 -24.46 1.06 Allowed 'General case' 0 C--O 1.232 0.15 0 N-CA-C 112.009 0.374 . . . . 0.0 112.009 -179.737 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.2 tt0 -158.02 69.14 0.52 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.426 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 47.96 43.24 17.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.279 0.561 . . . . 0.0 110.784 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 6.3 tttp -74.38 4.14 6.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.351 -0.84 . . . . 0.0 111.768 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? 76.64 132.01 0.05 Allowed 'General case' 0 N--CA 1.462 0.155 0 CA-C-O 120.9 0.381 . . . . 0.0 111.114 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.632 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.0 mm? -100.22 108.7 20.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.93 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.17 174.62 7.76 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.895 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -108.87 -26.38 10.28 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.077 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -86.87 -15.63 38.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.308 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -53.31 157.12 2.08 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.874 0.368 . . . . 0.0 110.941 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.723 ' HG2' HG22 ' A' ' 11' ' ' THR . 1.7 mp0 -151.79 148.24 27.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.704 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.567 HD13 ' O ' ' A' ' 39' ' ' GLU . 19.4 mm -131.88 147.98 32.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.037 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.891 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -118.32 115.83 25.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.194 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 1.054 HD13 HG13 ' A' ' 53' ' ' VAL . 25.4 mm -109.02 101.83 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.964 179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.3 mm -98.02 142.89 13.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.167 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.512 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -139.8 147.74 41.18 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.096 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.457 HG12 ' HB2' ' A' ' 51' ' ' ASN . 0.8 OUTLIER -155.24 164.4 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.651 179.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.09 67.83 0.17 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.155 -179.704 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.49 14.59 59.27 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.871 -0.681 . . . . 0.0 112.468 179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.2 m 75.99 2.54 3.65 Favored 'General case' 0 N--CA 1.462 0.169 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER 179.58 61.99 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.143 0 CA-C-O 120.739 0.304 . . . . 0.0 110.865 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.3 m 65.24 -163.95 0.25 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.601 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.512 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 44.8 t30 -130.3 -104.51 0.29 Allowed 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.566 -0.288 . . . . 0.0 111.425 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.486 ' CE1' ' CD2' ' A' ' 78' ' ' HIS . 5.0 p-80 -151.6 170.03 20.67 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.834 0.35 . . . . 0.0 111.15 -179.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.054 HG13 HD13 ' A' ' 42' ' ' ILE . 21.6 t -125.06 150.29 30.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.167 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -131.94 148.41 52.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -101.37 108.54 20.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.891 HD11 ' HB2' ' A' ' 41' ' ' ALA . 12.5 mt -85.99 91.79 8.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.856 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.7 p -66.89 -50.69 61.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.933 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -150.22 106.93 3.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.848 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.646 ' OH ' HD13 ' A' ' 65' ' ' ILE . 76.2 t80 -62.43 144.07 56.33 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.415 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 14.0 m120 -90.13 -160.85 0.73 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.753 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 45.5 t -133.84 -44.92 0.8 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.729 0.3 . . . . 0.0 111.063 -179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 13.6 m -52.55 168.6 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.346 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -58.82 -20.65 52.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.241 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -53.82 -24.01 14.17 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.849 0.357 . . . . 0.0 111.039 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.646 HD13 ' OH ' ' A' ' 59' ' ' TYR . 2.5 pp -55.99 -41.91 69.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.444 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.598 ' N ' HD12 ' A' ' 65' ' ' ILE . 0.1 OUTLIER -79.11 -38.77 35.37 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.266 -179.78 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 5.9 tttp -58.22 -50.08 74.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.182 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -60.42 -51.45 69.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.096 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.6 tp -67.08 -58.67 4.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.219 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -48.18 -33.37 8.36 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.908 0.385 . . . . 0.0 110.801 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.409 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 9.2 mt-10 -63.26 -43.9 96.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.337 179.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.27 -24.44 46.83 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.121 179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.66 -65.67 3.41 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.382 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -163.55 28.9 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.78 0.324 . . . . 0.0 111.041 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.409 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.24 -77.9 0.52 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.167 0.508 . . . . 0.0 111.032 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.468 HG22 ' N ' ' A' ' 77' ' ' ASN . 16.9 mm -67.04 159.9 4.5 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.671 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.137 -179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.468 ' N ' HG22 ' A' ' 76' ' ' ILE . 9.4 t-20 -59.35 -22.43 61.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.143 -179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.762 ' O ' HG22 ' A' ' 79' ' ' THR . 56.7 t-80 63.94 165.33 0.14 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.932 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.762 HG22 ' O ' ' A' ' 78' ' ' HIS . 4.5 t 56.93 137.69 0.0 OUTLIER 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.585 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.417 ' HB ' ' O ' ' A' ' 79' ' ' THR . 0.8 OUTLIER 168.64 -31.22 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.844 -0.616 . . . . 0.0 110.782 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.408 ' HA ' HD13 ' A' ' 84' ' ' LEU . 4.3 mt 70.79 2.5 4.19 Favored 'General case' 0 C--O 1.233 0.218 0 CA-C-N 116.057 -0.519 . . . . 0.0 111.762 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 2.0 ttmm -86.17 -45.65 11.14 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.797 0.332 . . . . 0.0 110.515 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.502 HG13 HD12 ' A' ' 84' ' ' LEU . 8.4 pt -61.0 -32.55 52.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.426 179.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.62 ' HG ' HD23 ' A' ' 88' ' ' LEU . 3.9 mp -69.31 -45.51 69.37 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.015 -0.539 . . . . 0.0 109.804 179.096 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.87 -20.39 66.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.372 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.4 -32.21 25.8 Favored Glycine 0 C--N 1.334 0.435 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.826 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 12.9 p80 -169.15 65.04 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.823 0.344 . . . . 0.0 111.297 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.62 HD23 ' HG ' ' A' ' 84' ' ' LEU . 7.9 tp . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.274 -0.869 . . . . 0.0 111.013 179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.713 ' O ' HD12 ' A' ' 1' ' ' LEU . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.405 0 CA-C-O 120.817 0.342 . . . . 0.0 111.226 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 9.6 t80 56.68 35.92 26.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.47 HG22 HG23 ' A' ' 5' ' ' THR . 27.1 mm 65.59 68.92 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.166 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.18 88.13 7.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.65 ' C ' HD13 ' A' ' 6' ' ' LEU . 15.9 p -97.96 165.7 11.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.105 -179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.664 ' N ' HD13 ' A' ' 6' ' ' LEU . 0.0 OUTLIER -155.53 171.32 20.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.616 179.777 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.59 140.71 39.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.951 0.405 . . . . 0.0 111.175 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -104.65 115.69 5.07 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.248 179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 25.8 mt -94.43 109.85 22.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.973 0.416 . . . . 0.0 111.463 -179.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.592 ' CE1' HD12 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -143.61 162.59 35.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.013 179.549 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.452 HG21 ' HG2' ' A' ' 39' ' ' GLU . 3.6 p -151.84 160.89 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.861 0.362 . . . . 0.0 111.173 -179.781 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 1.039 HD12 ' HB1' ' A' ' 27' ' ' ALA . 3.6 tt -48.3 -29.86 4.29 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.222 0.534 . . . . 0.0 110.815 179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.547 ' N ' ' CD ' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -100.15 -33.94 10.24 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.646 179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 46.3 t0 -100.16 40.18 1.27 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.369 178.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.511 HD23 ' HG3' ' A' ' 21' ' ' PRO . 1.1 mp -26.93 143.29 0.04 OUTLIER Pre-proline 0 N--CA 1.466 0.374 0 CA-C-N 115.068 -0.969 . . . . 0.0 112.781 -179.086 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.427 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 99.1 Cg_exo -44.66 94.4 0.02 OUTLIER 'Trans proline' 0 C--N 1.348 0.533 0 C-N-CA 122.758 2.305 . . . . 0.0 112.3 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -69.4 -5.54 24.22 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.472 -0.786 . . . . 0.0 111.504 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 77.3 mt-10 -66.72 -35.21 79.59 Favored 'General case' 0 C--O 1.232 0.168 0 CA-C-O 120.694 0.283 . . . . 0.0 111.579 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -170.22 -78.81 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 112.316 0.487 . . . . 0.0 112.316 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.477 ' HG2' ' HD2' ' A' ' 21' ' ' PRO . 7.9 ttm180 -135.15 137.53 27.05 Favored Pre-proline 0 CA--C 1.531 0.23 0 CA-C-O 120.669 0.271 . . . . 0.0 111.641 -178.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.511 ' HG3' HD23 ' A' ' 15' ' ' LEU . 51.7 Cg_exo -54.52 104.86 0.12 Allowed 'Trans proline' 0 C--N 1.348 0.504 0 C-N-CA 122.723 2.282 . . . . 0.0 112.697 179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 6.3 t80 -100.37 -28.48 12.92 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.869 HG21 HG21 ' A' ' 40' ' ' ILE . 14.7 p -100.1 -13.79 8.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.819 -179.566 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.478 ' OD1' HD11 ' A' ' 15' ' ' LEU . 34.6 t70 -48.78 -27.96 3.33 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 7.1 p90 -62.78 -40.43 97.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.552 179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.41 -24.54 67.88 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.612 179.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 1.039 ' HB1' HD12 ' A' ' 12' ' ' LEU . . . -72.39 -38.89 68.36 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.848 179.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.617 ' O ' ' N ' ' A' ' 30' ' ' GLU . . . -79.7 -19.38 70.91 Favored Glycine 0 C--N 1.333 0.379 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.605 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.524 ' O ' ' CB ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -8.36 68.17 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.444 0 C-N-CA 124.38 1.072 . . . . 0.0 113.055 -179.379 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.617 ' N ' ' O ' ' A' ' 28' ' ' GLY . 0.7 OUTLIER 98.68 58.59 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 114.334 -1.303 . . . . 0.0 112.092 179.145 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.413 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 12.7 pttp 46.69 42.35 11.41 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 121.312 0.577 . . . . 0.0 110.925 179.387 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' HB3' ' O ' ' A' ' 27' ' ' ALA . 12.5 tttt -69.4 -6.59 31.03 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.21 -0.905 . . . . 0.0 111.697 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.448 ' O ' HD11 ' A' ' 12' ' ' LEU . 0.7 OUTLIER 69.52 -172.94 0.18 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.7 0.286 . . . . 0.0 110.865 -179.836 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.838 HD23 ' CD2' ' A' ' 12' ' ' LEU . 2.6 mp -108.74 84.05 1.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.9 0.381 . . . . 0.0 111.385 -179.504 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.452 ' O ' ' HD3' ' A' ' 13' ' ' LYS . 0.3 OUTLIER -100.22 140.24 34.75 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.977 179.847 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.519 ' HA ' ' HD3' ' A' ' 13' ' ' LYS . 13.7 m-20 -58.71 -16.38 16.26 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.705 179.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -78.2 3.57 14.88 Favored 'General case' 0 CA--C 1.531 0.249 0 N-CA-C 112.172 0.434 . . . . 0.0 112.172 -179.486 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.416 ' O ' ' HB ' ' A' ' 11' ' ' THR . 18.2 m-20 -95.9 103.05 14.92 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.61 0.243 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.452 ' HG2' HG21 ' A' ' 11' ' ' THR . 0.0 OUTLIER -125.54 136.85 53.76 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.861 -179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.869 HG21 HG21 ' A' ' 23' ' ' VAL . 3.1 mp -136.52 149.96 27.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 121.042 0.449 . . . . 0.0 111.606 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.66 96.5 2.91 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.881 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.699 HG12 HG13 ' A' ' 53' ' ' VAL . 42.2 mt -82.74 136.71 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.039 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.545 HG21 ' HA2' ' A' ' 73' ' ' GLY . 15.4 mm -118.71 152.44 20.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.076 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -140.74 122.03 14.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.793 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 8.3 pt -114.97 -42.48 3.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.236 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -178.03 37.97 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -106.29 52.42 0.69 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.483 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 50.02 71.01 0.44 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.815 0.34 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 61.2 31.72 19.52 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 p -178.29 -176.14 0.5 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.84 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 37.2 t30 -174.39 -81.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.065 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.29 174.9 10.01 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.035 -179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.699 HG13 HG12 ' A' ' 42' ' ' ILE . 23.7 t -148.2 114.99 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.986 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.529 HD11 ' HB1' ' A' ' 72' ' ' ALA . 68.6 mt -108.27 165.57 11.39 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.092 -179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.457 ' CE2' HG13 ' A' ' 40' ' ' ILE . 1.3 t80 -118.71 111.64 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.811 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.1 mp -65.82 138.46 57.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.955 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.2 m -99.96 -76.18 0.56 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.104 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 10.1 t -110.43 -77.87 0.59 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.075 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.565 ' HA ' HD13 ' A' ' 65' ' ' ILE . 9.1 t80 63.81 119.81 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.906 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -130.89 35.98 3.92 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.064 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 12.4 t 60.42 30.73 20.03 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.964 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.739 ' CG2' HD12 ' A' ' 65' ' ' ILE . 6.5 m -97.98 144.06 11.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.166 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -58.64 -27.59 64.89 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.973 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -63.57 -31.9 73.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.739 HD12 ' CG2' ' A' ' 62' ' ' VAL . 17.3 mt -105.45 -29.05 2.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.142 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.18 -43.47 92.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.779 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -73.7 -29.83 62.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.639 179.698 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -58.23 -45.22 88.13 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.775 179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 54.7 tp -68.97 -57.11 5.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.698 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -49.25 -37.14 22.44 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.126 0.489 . . . . 0.0 110.125 179.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' HA ' ' HG2' ' A' ' 75' ' ' LYS . 7.3 mt-10 -63.32 -53.82 46.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.061 179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.529 ' HB1' HD11 ' A' ' 54' ' ' LEU . . . -61.16 -22.88 65.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.657 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.545 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -63.03 -46.58 93.17 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.445 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -157.78 61.5 0.47 Allowed 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 111.969 0.359 . . . . 0.0 111.969 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 71' ' ' GLU . 1.8 mmmt -99.36 -93.96 0.25 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.817 179.302 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 76' ' ' ILE . 21.3 mt -100.25 26.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.205 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p30 44.27 30.28 0.44 Allowed 'General case' 0 N--CA 1.462 0.159 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.516 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.2 m80 57.23 105.4 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.075 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.6 t -112.25 -35.08 5.72 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 57.2 p -132.36 165.87 23.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.948 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.474 HD22 HD13 ' A' ' 84' ' ' LEU . 17.5 mt -101.18 4.57 42.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.32 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -59.8 -28.26 67.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.727 0.299 . . . . 0.0 110.941 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.494 HG23 ' N ' ' A' ' 84' ' ' LEU . 18.6 tt -59.02 -45.7 92.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.805 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.512 HD23 ' HB3' ' A' ' 88' ' ' LEU . 0.2 OUTLIER -60.19 -45.28 93.69 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.047 179.426 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -62.65 -23.25 66.99 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.228 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -74.64 -33.71 55.22 Favored Glycine 0 N--CA 1.449 -0.475 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.52 179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.617 ' O ' HD22 ' A' ' 88' ' ' LEU . 22.1 p-80 -168.98 70.04 0.07 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.904 0.383 . . . . 0.0 111.329 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.617 HD22 ' O ' ' A' ' 87' ' ' HIS . 0.2 OUTLIER . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.87 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 6.0 tp . . . . . 0 N--CA 1.487 1.388 0 CA-C-O 120.781 0.324 . . . . 0.0 111.177 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 27.5 p90 -116.28 107.9 15.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.92 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.58 HD13 ' C ' ' A' ' 3' ' ' ILE . 0.0 OUTLIER -59.25 117.3 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.95 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.553 ' N ' HD13 ' A' ' 3' ' ' ILE . . . -78.22 123.83 27.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.153 -179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 69.4 p -88.75 107.06 18.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.051 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.624 HD22 ' N ' ' A' ' 6' ' ' LEU . 2.5 mm? -95.59 116.98 29.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.643 179.802 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.57 ' HB3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -113.15 90.77 3.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.162 -179.658 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -76.55 173.76 54.19 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.045 179.53 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.718 HG12 HG23 ' A' ' 11' ' ' THR . 12.8 tt -159.88 135.1 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.975 0.417 . . . . 0.0 111.492 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.468 ' CE2' ' HA ' ' A' ' 16' ' ' PRO . 3.0 m-85 -117.8 77.69 1.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.305 179.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.738 ' C ' HD23 ' A' ' 12' ' ' LEU . 66.3 p -79.68 134.83 36.43 Favored 'General case' 0 CA--C 1.512 -0.509 0 CA-C-O 121.305 0.574 . . . . 0.0 111.209 -179.664 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.738 HD23 ' C ' ' A' ' 11' ' ' THR . 1.2 pt? 46.52 -174.69 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.462 0 CA-C-N 114.926 -1.034 . . . . 0.0 111.159 -179.604 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.714 ' CD ' HD23 ' A' ' 34' ' ' LEU . 7.2 mtmp? -89.07 -7.13 56.44 Favored 'General case' 0 C--N 1.315 -0.897 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.834 -179.084 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.634 ' HB3' HD11 ' A' ' 12' ' ' LEU . 6.9 t70 -88.2 -19.67 26.58 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 121.128 -0.229 . . . . 0.0 110.829 179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.415 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.2 OUTLIER -102.43 40.68 0.04 OUTLIER Pre-proline 0 CA--C 1.543 0.679 0 N-CA-C 113.376 0.88 . . . . 0.0 113.376 179.734 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.526 ' CD ' ' C ' ' A' ' 14' ' ' ASP . 83.5 Cg_endo -79.7 54.95 5.43 Favored 'Trans proline' 0 C--N 1.353 0.789 0 C-N-CA 121.866 1.71 . . . . 0.0 112.666 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.457 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 35.3 tt0 56.77 -84.11 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.94 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.46 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 0.2 OUTLIER -137.61 -30.61 0.82 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.524 -0.307 . . . . 0.0 111.685 -179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.525 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -170.18 -92.21 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.304 -179.852 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -43.99 104.08 0.36 Allowed Pre-proline 0 CA--C 1.53 0.185 0 N-CA-C 111.694 0.257 . . . . 0.0 111.694 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 94.1 Cg_endo -81.97 125.55 4.78 Favored 'Trans proline' 0 C--N 1.345 0.392 0 C-N-CA 122.596 2.198 . . . . 0.0 112.216 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.426 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 0.7 OUTLIER -91.9 -13.0 31.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.273 -179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.46 HG11 ' HB ' ' A' ' 40' ' ' ILE . 27.6 m -100.26 -13.57 8.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -49.89 -35.94 25.45 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.674 0.273 . . . . 0.0 111.292 -179.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CD2' HD22 ' A' ' 29' ' ' LEU . 7.8 p90 -58.66 -42.57 88.72 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.84 0.352 . . . . 0.0 110.699 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.02 -25.29 67.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.445 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.808 ' HB1' ' HA ' ' A' ' 34' ' ' LEU . . . -75.01 -22.41 58.5 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.275 179.845 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -123.94 16.68 7.74 Favored Glycine 0 C--N 1.333 0.381 0 C-N-CA 120.44 -0.886 . . . . 0.0 113.084 -179.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.503 HD22 ' CD2' ' A' ' 25' ' ' TYR . 1.3 mp -100.18 36.68 1.8 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.91 0.355 . . . . 0.0 111.276 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -176.0 43.05 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.984 0.421 . . . . 0.0 111.113 179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 49.31 32.64 4.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.362 0.601 . . . . 0.0 110.844 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 ttmt -100.47 149.8 23.3 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.204 -0.907 . . . . 0.0 110.882 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -57.18 -76.1 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.51 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.808 ' HA ' ' HB1' ' A' ' 27' ' ' ALA . 1.9 tp -170.15 -167.4 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.377 179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.402 ' HB2' ' HG2' ' A' ' 13' ' ' LYS . 17.7 m -90.36 44.58 1.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.452 -179.453 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 50.1 t0 -57.93 -32.2 67.56 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.236 0.541 . . . . 0.0 109.9 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -140.88 16.28 2.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.506 -0.77 . . . . 0.0 110.392 179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.826 ' OD2' HD11 ' A' ' 40' ' ' ILE . 34.5 t0 -80.82 142.96 33.17 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.074 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.473 ' HG3' HG22 ' A' ' 11' ' ' THR . 6.2 tt0 -123.06 105.74 10.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.706 179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.826 HD11 ' OD2' ' A' ' 38' ' ' ASP . 10.1 mm -111.26 149.24 14.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.949 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.93 149.74 34.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.375 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.672 ' N ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -134.76 114.66 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.984 179.802 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.76 HG21 ' CA ' ' A' ' 73' ' ' GLY . 24.6 mm -99.13 114.44 37.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.176 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.405 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 16.1 p -98.98 130.78 45.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.829 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.734 HG21 ' HB2' ' A' ' 74' ' ' ALA . 0.2 OUTLIER -157.54 43.98 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.753 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 2.0 tmmt? 65.8 -74.32 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.059 -179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 59.51 -88.17 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.684 -0.77 . . . . 0.0 111.281 -179.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.556 ' O ' ' HB3' ' A' ' 49' ' ' GLN . 0.7 OUTLIER -117.38 -33.03 4.75 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.802 -0.444 . . . . 0.0 109.802 178.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.556 ' HB3' ' O ' ' A' ' 48' ' ' THR . 2.0 pm0 161.89 33.27 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.468 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.717 179.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.424 ' HB3' ' O ' ' A' ' 49' ' ' GLN . 7.5 p 177.8 -159.06 0.02 OUTLIER 'General case' 0 CA--C 1.528 0.129 0 CA-C-O 120.713 0.292 . . . . 0.0 110.601 -179.683 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.405 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 22.5 p30 -121.14 -173.26 2.57 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.852 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.51 ' NE2' HD11 ' A' ' 45' ' ' ILE . 0.3 OUTLIER -134.14 145.19 49.06 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.832 179.74 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.581 HG22 HG22 ' A' ' 42' ' ' ILE . 14.9 t -97.91 157.38 3.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.328 -179.71 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.585 HD21 ' CD1' ' A' ' 84' ' ' LEU . 3.9 mt -169.97 148.59 3.49 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.773 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.592 ' HB3' HD21 ' A' ' 88' ' ' LEU . 53.8 t80 -70.1 156.79 38.69 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.601 HD11 HD21 ' A' ' 69' ' ' LEU . 1.2 mm? -126.95 136.46 52.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . 0.44 ' HB3' ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER -98.74 159.35 15.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.85 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.5 t -111.84 129.82 56.02 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.027 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.704 ' O ' HD11 ' A' ' 65' ' ' ILE . 0.0 OUTLIER 176.8 98.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -37.76 -62.14 0.57 Allowed 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.914 -179.788 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.849 ' O ' HG22 ' A' ' 62' ' ' VAL . 14.0 p -70.97 -153.25 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.765 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.849 HG22 ' O ' ' A' ' 61' ' ' SER . 1.0 OUTLIER 82.57 -39.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 123.293 0.637 . . . . 0.0 112.604 179.677 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 68.52 -46.71 0.54 Allowed 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.847 0.356 . . . . 0.0 111.34 179.763 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.641 ' HG2' HG23 ' A' ' 62' ' ' VAL . 3.7 pt-20 -48.23 -24.99 1.33 Allowed 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.683 -0.235 . . . . 0.0 110.615 179.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.704 HD11 ' O ' ' A' ' 59' ' ' TYR . 6.3 mt -33.34 -65.05 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.667 0 CA-C-O 121.053 0.454 . . . . 0.0 111.135 179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.12 -33.6 44.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.631 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 1.8 tttm -54.54 -37.88 65.94 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.039 0.447 . . . . 0.0 110.737 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -74.51 -49.15 23.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.699 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.601 HD21 HD11 ' A' ' 56' ' ' LEU . 9.3 mp -59.07 -45.05 91.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.627 179.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -60.13 -31.94 70.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.178 179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.47 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 5.5 tt0 -69.44 -47.06 65.25 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.472 179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -86.4 7.01 27.49 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.43 179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.76 ' CA ' HG21 ' A' ' 43' ' ' ILE . . . -92.23 -53.11 2.08 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.824 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.734 ' HB2' HG21 ' A' ' 45' ' ' ILE . . . -154.55 28.4 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.802 0.334 . . . . 0.0 111.577 -179.675 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.47 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -85.9 -151.13 0.15 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.603 179.819 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.489 HD13 ' H ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -36.71 -83.56 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.279 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t30 174.42 -179.96 0.11 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.904 0.383 . . . . 0.0 111.212 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -111.67 67.96 0.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.805 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 25.4 m -94.37 -67.51 0.85 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.979 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -68.74 -54.05 18.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.867 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.468 HD23 ' HA ' ' A' ' 81' ' ' LEU . 10.8 mt 61.92 24.41 14.53 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.041 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.3 ttpp -64.81 -45.28 86.9 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.801 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.474 HD12 ' N ' ' A' ' 84' ' ' LEU . 2.5 pp -56.46 -37.11 49.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.998 179.737 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.585 ' CD1' HD21 ' A' ' 54' ' ' LEU . 6.7 tt -65.77 -32.44 73.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.45 179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 74.0 tt0 -71.64 -29.95 65.21 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.718 179.73 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -89.82 -28.83 17.41 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.344 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -84.28 -33.63 23.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.824 0.345 . . . . 0.0 110.588 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.592 HD21 ' HB3' ' A' ' 55' ' ' PHE . 4.4 mt . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.905 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.637 HD22 ' N ' ' A' ' 1' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.854 0.359 . . . . 0.0 111.135 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.444 ' CD1' ' N ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -124.66 -83.07 0.64 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.983 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.638 ' N ' HD12 ' A' ' 3' ' ' ILE . 3.5 mp 47.71 90.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.156 0 CA-C-O 120.813 0.34 . . . . 0.0 111.258 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -106.01 81.97 1.71 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.133 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.615 HG21 ' HB2' ' A' ' 74' ' ' ALA . 41.1 p -70.15 112.83 6.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.808 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.455 HD13 ' C ' ' A' ' 6' ' ' LEU . 2.0 tm? -73.95 77.28 1.67 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.913 -179.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.8 ttpp -99.94 109.89 22.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.752 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.431 ' O ' HG22 ' A' ' 42' ' ' ILE . . . -118.57 156.87 15.48 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.537 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.475 HG22 ' N ' ' A' ' 10' ' ' PHE . 23.2 mt -97.57 157.97 3.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.998 0.428 . . . . 0.0 111.148 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.67 ' HA ' HD21 ' A' ' 15' ' ' LEU . 4.4 m-85 -144.02 53.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.58 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.55 ' O ' HD12 ' A' ' 15' ' ' LEU . 10.1 t -83.89 124.92 31.49 Favored 'General case' 0 C--O 1.239 0.504 0 CA-C-O 121.752 0.787 . . . . 0.0 111.427 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.836 ' O ' HD12 ' A' ' 15' ' ' LEU . 6.3 mp 56.09 160.1 0.01 OUTLIER 'General case' 0 N--CA 1.449 -0.524 0 CA-C-N 114.839 -1.073 . . . . 0.0 110.685 -179.756 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 3.9 ptmt -74.96 5.88 4.69 Favored 'General case' 0 C--N 1.317 -0.813 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.533 179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.539 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 0.7 OUTLIER -87.76 -25.48 23.39 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.303 179.919 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.836 HD12 ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -101.01 34.11 0.04 OUTLIER Pre-proline 0 CA--C 1.545 0.756 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 -179.58 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.539 ' CD ' ' C ' ' A' ' 14' ' ' ASP . 84.3 Cg_exo -45.27 83.6 0.01 OUTLIER 'Trans proline' 0 C--N 1.354 0.854 0 C-N-CA 122.154 1.902 . . . . 0.0 113.034 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 15' ' ' LEU . 3.3 tt0 12.39 -79.07 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.576 0.75 . . . . 0.0 112.896 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.515 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 3.8 tp10 -99.77 -46.62 5.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 121.051 0.453 . . . . 0.0 111.419 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.515 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 40.9 m-85 -170.25 -60.27 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.444 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 32.5 mtm180 -138.47 74.86 39.72 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 109.888 179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.424 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 76.1 Cg_exo -50.93 -171.81 0.0 OUTLIER 'Trans proline' 0 C--N 1.343 0.289 0 C-N-CA 123.167 2.578 . . . . 0.0 113.87 -178.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -92.9 -31.88 14.79 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.133 -0.94 . . . . 0.0 110.962 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.498 ' CG2' ' CE2' ' A' ' 10' ' ' PHE . 21.4 m -67.51 -10.35 12.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.5 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -47.72 -28.83 2.66 Favored 'General case' 0 N--CA 1.462 0.13 0 CA-C-O 120.787 0.327 . . . . 0.0 110.696 179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.5 p90 -59.85 -34.81 73.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.105 0.478 . . . . 0.0 109.936 179.157 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.6 ' HA ' ' HG ' ' A' ' 29' ' ' LEU . 26.6 tttp -58.82 -33.54 70.5 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.34 179.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -68.78 -26.26 65.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.285 179.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -121.06 26.43 6.76 Favored Glycine 0 CA--C 1.52 0.365 0 C-N-CA 120.814 -0.708 . . . . 0.0 113.067 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.6 ' HG ' ' HA ' ' A' ' 26' ' ' LYS . 16.1 mt -37.65 -71.04 0.08 Allowed 'General case' 0 N--CA 1.467 0.417 0 CA-C-O 121.153 0.501 . . . . 0.0 112.101 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' CB ' ' A' ' 31' ' ' LYS . 13.3 tp10 -177.54 94.76 0.04 OUTLIER 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.363 -0.835 . . . . 0.0 110.678 -179.657 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.404 ' CB ' ' O ' ' A' ' 30' ' ' GLU . 3.7 ttpt 82.45 40.76 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.852 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.32 -173.24 2.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.738 -0.664 . . . . 0.0 110.456 179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.58 112.92 19.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.89 0.376 . . . . 0.0 110.781 179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.4 HD12 ' H ' ' A' ' 34' ' ' LEU . 0.7 OUTLIER -92.4 46.88 1.27 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 64.1 p -100.17 30.34 3.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.78 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER 70.34 11.84 7.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.18 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.6 p30 -88.2 12.25 14.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.578 -0.283 . . . . 0.0 111.496 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.649 ' CG ' HD11 ' A' ' 40' ' ' ILE . 15.5 t0 -80.72 113.31 18.83 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.76 0.314 . . . . 0.0 111.022 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.489 ' C ' HD12 ' A' ' 40' ' ' ILE . 3.0 mp0 -113.43 118.43 34.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.724 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.649 HD11 ' CG ' ' A' ' 38' ' ' ASP . 1.5 mp -145.71 165.93 9.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.19 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.487 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -137.55 116.43 12.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.628 179.707 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.463 ' HB ' ' CE1' ' A' ' 10' ' ' PHE . 1.2 tp -86.9 142.64 12.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.926 0.393 . . . . 0.0 111.316 -179.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.56 HG21 ' HA2' ' A' ' 73' ' ' GLY . 24.1 mt -145.99 142.11 21.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.153 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.404 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 6.4 t -155.8 146.81 22.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.661 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.896 HD12 ' HB2' ' A' ' 51' ' ' ASN . 3.1 mp -121.15 -81.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.184 -179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.9 41.18 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.866 0.365 . . . . 0.0 111.004 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -90.56 14.31 63.14 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.742 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.2 p 64.15 12.47 7.07 Favored 'General case' 0 CA--C 1.529 0.148 0 CA-C-O 120.546 0.212 . . . . 0.0 111.404 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 12.3 mm100 -157.13 27.69 0.3 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.66 0.267 . . . . 0.0 110.823 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 65.05 169.32 0.19 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.529 -0.305 . . . . 0.0 110.499 -179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.896 ' HB2' HD12 ' A' ' 45' ' ' ILE . 20.5 t-20 -91.44 -94.48 0.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.96 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.459 ' CD2' ' ND2' ' A' ' 51' ' ' ASN . 22.8 m-70 -154.18 -170.94 3.7 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.853 0.358 . . . . 0.0 111.137 -179.811 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.7 p -154.22 136.74 6.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.85 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 9.3 mt -129.75 150.31 51.12 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.075 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.413 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 3.0 p90 -90.94 121.51 32.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.642 179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.448 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 1.9 mm? -62.28 114.03 3.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 52.3 p -100.07 -165.38 1.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.813 179.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.3 m -96.98 84.79 3.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.852 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 34.9 p90 -75.94 -176.54 3.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.955 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 7.0 m-20 -98.53 -67.89 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.027 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.2 m -123.35 -176.27 3.4 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.989 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 35.3 m -101.58 33.59 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.155 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -109.09 -54.55 2.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -73.35 -33.52 65.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.88 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -75.34 -31.35 23.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.992 -179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -65.71 -60.47 2.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.896 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 14.7 ptpt -59.98 -30.82 69.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.923 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -67.87 -55.35 13.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.999 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.5 tp -65.54 -52.32 53.33 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.998 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -53.45 -43.96 68.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.71 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.42 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 4.1 tt0 -66.67 -37.15 84.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.649 179.659 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.507 ' HB1' ' CE1' ' A' ' 78' ' ' HIS . . . -84.5 3.44 36.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.337 179.719 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.56 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -92.26 -59.93 1.27 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.531 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.615 ' HB2' HG21 ' A' ' 5' ' ' THR . . . -129.13 -1.99 5.13 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.42 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.5 OUTLIER -100.19 -170.5 1.88 Allowed 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.821 0.343 . . . . 0.0 111.122 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 7.0 pt -76.49 -165.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.922 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.2 t-20 77.83 88.47 0.07 Allowed 'General case' 0 C--N 1.333 -0.142 0 CA-C-O 120.904 0.383 . . . . 0.0 110.945 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.507 ' CE1' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -178.52 -178.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.804 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.559 ' C ' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER 61.33 171.71 0.11 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.944 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.559 HG23 ' C ' ' A' ' 79' ' ' THR . 1.6 p 81.12 -22.29 0.28 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.755 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 34.9 mt 61.02 18.0 8.51 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.684 0.278 . . . . 0.0 111.377 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.7 tttm -81.72 -52.59 7.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.783 0.325 . . . . 0.0 110.727 179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.432 HG13 HD12 ' A' ' 84' ' ' LEU . 23.9 pt -59.17 -34.63 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.62 179.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.432 HD12 HG13 ' A' ' 83' ' ' ILE . 1.2 mp -70.71 -34.38 71.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.136 179.443 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -72.98 -30.17 63.61 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.561 179.667 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.63 -26.05 16.38 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.541 179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -101.48 -56.49 2.29 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.847 0.356 . . . . 0.0 110.8 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.22 -0.895 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.437 ' HA ' HD22 ' A' ' 1' ' ' LEU . 0.9 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.793 0.33 . . . . 0.0 111.206 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -179.74 173.41 1.02 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.874 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 27.3 mm -107.59 133.14 53.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -89.61 54.92 3.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.212 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.91 105.78 3.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.74 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.413 HD13 ' HA ' ' A' ' 6' ' ' LEU . 0.7 OUTLIER -96.46 123.28 40.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.967 -179.86 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.735 ' HA ' HG22 ' A' ' 43' ' ' ILE . 0.7 OUTLIER -120.03 97.6 5.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.663 179.858 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -118.83 122.5 5.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.527 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.531 ' O ' HG23 ' A' ' 9' ' ' ILE . 1.1 tt -100.83 118.83 48.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-O 120.945 0.402 . . . . 0.0 110.937 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.935 ' CD1' HD13 ' A' ' 42' ' ' ILE . 7.1 m-85 -71.61 149.75 45.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.189 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.797 ' OG1' HD23 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -123.8 127.55 48.25 Favored 'General case' 0 CA--C 1.514 -0.424 0 CA-C-O 121.448 0.642 . . . . 0.0 111.044 179.778 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.515 HD12 ' HB ' ' A' ' 11' ' ' THR . 0.3 OUTLIER 51.33 -170.01 0.03 OUTLIER 'General case' 0 N--CA 1.446 -0.666 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.189 -179.5 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.417 ' HD2' ' HB1' ' A' ' 27' ' ' ALA . 3.3 mmtp -100.31 -7.16 24.83 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.37 -0.832 . . . . 0.0 111.037 179.639 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.548 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.9 p30 -100.42 -21.68 15.3 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.797 HD23 ' OG1' ' A' ' 11' ' ' THR . 33.4 tp -101.82 74.19 0.14 Allowed Pre-proline 0 CA--C 1.533 0.309 0 N-CA-C 112.713 0.634 . . . . 0.0 112.713 -179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.548 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 74.2 Cg_endo -82.0 50.46 3.47 Favored 'Trans proline' 0 C--N 1.349 0.589 0 C-N-CA 122.313 2.009 . . . . 0.0 112.277 179.208 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.705 ' OE2' HD11 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -60.63 90.36 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.413 -179.556 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -179.99 -44.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.729 179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 90.9 t80 -170.43 -75.94 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 115.5 -0.773 . . . . 0.0 110.965 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HB3' ' HD2' ' A' ' 21' ' ' PRO . 0.7 OUTLIER -153.13 165.45 17.61 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.343 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.488 ' HD2' ' HB3' ' A' ' 20' ' ' ARG . 34.6 Cg_endo -65.18 67.97 0.3 Allowed 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.371 2.047 . . . . 0.0 112.335 -179.798 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.415 ' N ' ' O ' ' A' ' 20' ' ' ARG . 82.2 t80 -79.97 -66.31 0.89 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.692 179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.477 HG22 ' HG2' ' A' ' 26' ' ' LYS . 12.8 p -54.56 -17.73 2.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.543 179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -45.3 -29.14 0.95 Allowed 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.344 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.496 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 6.0 p90 -62.78 -34.26 76.88 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.771 0.32 . . . . 0.0 110.732 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.756 ' NZ ' HD12 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -67.39 -30.47 70.26 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.887 0.375 . . . . 0.0 110.193 179.438 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.417 ' HB1' ' HD2' ' A' ' 13' ' ' LYS . . . -73.35 -18.97 61.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.819 179.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -134.19 29.15 3.09 Favored Glycine 0 N--CA 1.449 -0.446 0 C-N-CA 120.908 -0.663 . . . . 0.0 112.004 179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 28.8 tp -47.13 -28.76 1.91 Allowed 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 172.72 93.96 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.73 179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER 61.22 44.62 9.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.518 179.158 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.667 ' O ' HD23 ' A' ' 34' ' ' LEU . 0.8 OUTLIER -100.12 135.08 42.1 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.623 179.446 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -76.28 109.41 9.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.026 -179.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.667 HD23 ' O ' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -120.27 97.84 5.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.793 179.849 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.87 -82.39 0.45 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.7 p-10 174.99 84.65 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.777 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -170.22 -40.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 76.3 m-20 -60.68 154.62 21.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.8 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.544 ' O ' HD13 ' A' ' 40' ' ' ILE . 8.9 mt-10 -133.01 154.6 50.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.748 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.756 HD12 ' NZ ' ' A' ' 26' ' ' LYS . 5.9 mm -122.73 153.58 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.103 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.847 ' HB2' ' CD2' ' A' ' 56' ' ' LEU . . . -115.86 113.56 23.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.22 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.935 HD13 ' CD1' ' A' ' 10' ' ' PHE . 3.3 mp -122.13 113.82 40.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.809 179.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.735 HG22 ' HA ' ' A' ' 7' ' ' LYS . 15.1 pt -128.35 135.05 63.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.194 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 10.7 t -106.92 149.67 27.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.77 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 17.4 pt -146.22 41.18 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.253 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 57.61 21.96 7.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.177 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -67.64 78.79 0.18 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.226 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 4.9 m 69.54 -66.53 0.26 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.788 0.328 . . . . 0.0 110.644 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 176.73 59.99 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.792 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -177.38 -175.23 0.54 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.982 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.66 ' OD1' HG23 ' A' ' 42' ' ' ILE . 13.8 p30 -134.88 -179.18 5.45 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.877 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -109.3 152.49 25.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 11.3 p -126.38 143.07 41.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.163 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.582 HD21 HD12 ' A' ' 84' ' ' LEU . 8.3 mt -154.99 142.32 19.52 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.82 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.423 ' CD2' ' HE3' ' A' ' 26' ' ' LYS . 2.4 t80 -74.69 118.24 17.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.725 179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.847 ' CD2' ' HB2' ' A' ' 41' ' ' ALA . 1.3 mm? -61.72 102.35 0.25 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.284 -179.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.4 m -100.06 30.64 3.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.736 179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 45.0 m -57.71 171.61 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.134 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.513 ' CD2' HD11 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -119.45 -55.33 2.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.696 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -149.5 -74.48 0.17 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.775 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.48 92.87 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.479 HG23 HG12 ' A' ' 65' ' ' ILE . 4.8 m -149.87 169.16 2.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.166 179.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -60.36 -31.38 70.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.899 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.6 -29.91 69.51 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.513 HD11 ' CD2' ' A' ' 59' ' ' TYR . 28.2 mm -72.22 -62.02 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.226 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -58.67 -33.34 70.01 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.1 mtpp -60.7 -31.05 70.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.769 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -71.12 -50.3 35.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.5 tp -66.08 -55.62 15.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.54 -34.35 36.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.014 0.435 . . . . 0.0 110.514 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.454 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 17.1 mt-10 -60.72 -41.21 94.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.45 179.359 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -82.91 -22.14 33.99 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.227 179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.537 ' HA2' HD12 ' A' ' 43' ' ' ILE . . . -56.09 -59.1 11.24 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.581 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -170.73 39.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.899 0.381 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.454 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.03 -73.95 0.62 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.29 0.567 . . . . 0.0 111.076 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.6 pt -95.26 39.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.639 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.0 m120 69.41 -63.93 0.36 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.204 179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.626 ' CD2' HD11 ' A' ' 83' ' ' ILE . 38.4 t-80 65.93 77.3 0.3 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.912 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 6.2 t -164.04 33.69 0.08 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.581 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 17.4 p -133.37 3.87 3.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.747 -179.652 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 54.3 26.19 6.63 Favored 'General case' 0 C--O 1.232 0.149 0 CA-C-O 120.713 0.292 . . . . 0.0 111.214 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 21.3 tptt -81.9 -65.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.985 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.626 HD11 ' CD2' ' A' ' 78' ' ' HIS . 2.5 pt -54.7 -29.24 20.69 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.92 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.582 HD12 HD21 ' A' ' 54' ' ' LEU . 8.3 tt -76.41 -32.43 58.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.169 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -77.16 -24.72 51.49 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.481 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -91.6 -24.44 25.9 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.397 179.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.533 ' HB3' HD22 ' A' ' 88' ' ' LEU . 0.5 OUTLIER -101.4 -61.86 1.32 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.932 0.396 . . . . 0.0 110.875 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.533 HD22 ' HB3' ' A' ' 87' ' ' HIS . 3.3 mm? . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.814 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.833 0.349 . . . . 0.0 111.074 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.633 ' CD2' HG22 ' A' ' 3' ' ' ILE . 2.0 p90 -155.04 -49.69 0.09 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.84 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.633 HG22 ' CD2' ' A' ' 2' ' ' PHE . 10.7 tt -177.79 153.6 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.954 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.05 107.38 18.32 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.232 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 21.5 p -141.87 101.08 3.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.93 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.443 HD12 ' N ' ' A' ' 6' ' ' LEU . 3.4 mp -121.85 157.0 32.1 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.743 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.535 ' HG3' HG23 ' A' ' 43' ' ' ILE . 0.2 OUTLIER -141.13 133.39 28.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.982 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.479 ' O ' HD13 ' A' ' 9' ' ' ILE . . . -119.82 162.21 14.05 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.542 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.498 HG22 HG23 ' A' ' 11' ' ' THR . 26.7 mm -129.79 137.19 57.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.832 0.348 . . . . 0.0 111.066 179.849 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 16' ' ' PRO . 4.2 m-85 -119.04 65.89 0.78 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.876 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.54 ' CB ' HD22 ' A' ' 12' ' ' LEU . 22.5 p -70.69 153.84 42.43 Favored 'General case' 0 C--O 1.236 0.388 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.715 ' O ' ' C ' ' A' ' 13' ' ' LYS . 1.2 mm? 55.21 150.21 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.371 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.322 -179.244 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.715 ' C ' ' O ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -7.55 83.95 0.0 OUTLIER 'General case' 0 CA--C 1.501 -0.915 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 -179.3 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.584 ' N ' ' O ' ' A' ' 12' ' ' LEU . 39.1 p-10 -5.07 71.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 112.978 -1.919 . . . . 0.0 111.951 -174.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.551 ' N ' ' O ' ' A' ' 13' ' ' LYS . 52.0 tp -54.61 112.35 3.9 Favored Pre-proline 0 CA--C 1.529 0.167 0 CA-C-N 114.514 -1.221 . . . . 0.0 111.207 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.438 ' HG3' ' N ' ' A' ' 21' ' ' PRO . 91.1 Cg_endo -78.81 78.9 3.53 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.557 2.171 . . . . 0.0 112.173 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -48.5 -27.82 2.95 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.268 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.435 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 4.5 tp10 -58.73 -61.61 2.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.109 0.48 . . . . 0.0 110.948 179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.435 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 23.2 m-85 -167.01 -80.37 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.707 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.986 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.508 ' HB2' ' HD2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -113.6 160.26 32.45 Favored Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.765 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD2' ' HB2' ' A' ' 20' ' ' ARG . 4.6 Cg_endo -46.65 103.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.876 2.384 . . . . 0.0 112.734 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -95.12 -50.04 5.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.471 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.454 ' O ' HG12 ' A' ' 23' ' ' VAL . 21.1 t -81.4 -7.24 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.177 179.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -51.46 -27.17 9.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.904 0.383 . . . . 0.0 110.593 179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.7 p90 -61.51 -37.9 85.39 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.297 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.654 ' HA ' HD12 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -68.65 -27.91 66.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.185 -0.462 . . . . 0.0 109.976 179.054 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' CB ' HD12 ' A' ' 34' ' ' LEU . . . -73.26 -20.24 60.88 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.544 179.095 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -138.9 33.71 2.16 Favored Glycine 0 C--N 1.333 0.373 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.297 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.654 HD12 ' HA ' ' A' ' 26' ' ' LYS . 0.3 OUTLIER -53.12 -24.24 9.88 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.778 0.323 . . . . 0.0 111.501 -179.85 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 178.64 81.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 58.11 43.35 20.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.855 179.921 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.53 -8.45 38.26 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.814 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 tptm 67.06 148.85 0.05 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.805 0.336 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.66 HD22 ' N ' ' A' ' 34' ' ' LEU . 0.4 OUTLIER -113.44 97.5 6.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.056 -179.8 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.25 138.5 37.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.169 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -76.46 -5.74 48.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.042 179.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -92.55 14.12 17.8 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.762 0.315 . . . . 0.0 110.991 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.81 168.11 18.35 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 120.908 0.385 . . . . 0.0 111.028 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 16.7 mt-10 -159.93 117.31 2.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.993 -0.549 . . . . 0.0 110.7 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.471 HG23 ' HA ' ' A' ' 55' ' ' PHE . 29.5 mt -125.63 153.82 33.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.199 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -129.29 151.58 49.79 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.977 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.681 ' N ' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -137.83 127.96 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.278 -179.868 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.535 HG23 ' HG3' ' A' ' 7' ' ' LYS . 3.9 mp -105.57 113.66 43.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.865 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.477 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -79.64 132.22 36.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.756 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 13.3 mt -152.51 152.56 10.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.792 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 48.8 mmtt -50.73 -78.65 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.64 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 50.08 20.33 3.19 Favored Glycine 0 CA--C 1.519 0.331 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.856 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 44.87 30.47 0.56 Allowed 'General case' 0 C--N 1.334 -0.108 0 CA-C-O 120.754 0.312 . . . . 0.0 111.109 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -140.94 -63.34 0.47 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.579 -179.644 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 171.45 -69.37 0.01 OUTLIER 'General case' 0 CA--C 1.518 -0.271 0 CA-C-O 121.161 0.505 . . . . 0.0 110.645 -179.592 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.477 ' CB ' ' HA ' ' A' ' 44' ' ' SER . 4.7 p-10 -179.3 -169.88 0.16 Allowed 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 115.301 -0.863 . . . . 0.0 111.192 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.426 ' CE1' ' HB ' ' A' ' 43' ' ' ILE . 48.3 p-80 -141.0 149.07 41.28 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.751 179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.56 HG23 HG22 ' A' ' 42' ' ' ILE . 13.3 p -111.25 158.24 11.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.395 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.905 HD22 HD11 ' A' ' 88' ' ' LEU . 9.7 mt -154.89 127.88 8.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.739 179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.471 ' HA ' HG23 ' A' ' 40' ' ' ILE . 51.2 t80 -70.18 144.95 51.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.007 -179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.59 HD11 HD11 ' A' ' 69' ' ' LEU . 3.0 mp -122.31 131.61 53.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.905 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 2.8 m -59.33 -82.77 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' ASN . 0.2 OUTLIER -156.39 22.15 0.35 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.281 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.416 ' O ' ' N ' ' A' ' 61' ' ' SER . 3.6 t80 54.15 -82.52 0.01 OUTLIER 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.254 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.469 ' N ' ' O ' ' A' ' 58' ' ' SER . 0.1 OUTLIER 60.77 -79.87 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.17 0 CA-C-O 120.802 0.334 . . . . 0.0 111.334 179.699 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.416 ' N ' ' O ' ' A' ' 59' ' ' TYR . 0.3 OUTLIER -55.25 168.17 0.38 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.263 -179.701 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 7.0 m -146.44 169.51 5.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 23.5 t70 66.74 -70.74 0.1 Allowed 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.939 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -63.59 -45.43 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.82 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.82 HD13 ' O ' ' A' ' 65' ' ' ILE . 0.0 OUTLIER -70.65 -37.92 71.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.02 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -60.3 -38.45 83.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.868 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.3 mtpt -77.7 -30.78 51.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -62.6 -50.51 70.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.142 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.59 HD11 HD11 ' A' ' 56' ' ' LEU . 0.7 OUTLIER -63.06 -61.68 2.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.126 -179.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -49.77 -28.71 6.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.881 0.372 . . . . 0.0 110.812 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.425 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 26.7 tt0 -69.63 -44.06 71.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.601 179.626 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.89 -0.91 32.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.541 179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -92.1 -74.61 1.28 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.658 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -105.1 -3.11 23.48 Favored 'General case' 0 C--N 1.329 -0.286 0 N-CA-C 111.89 0.33 . . . . 0.0 111.89 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -99.98 -154.98 0.49 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.691 -0.231 . . . . 0.0 110.695 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.2 mt -41.54 139.45 0.46 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-O 120.929 0.395 . . . . 0.0 111.469 -179.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -54.34 -178.88 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.293 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.623 ' O ' HG22 ' A' ' 79' ' ' THR . 12.7 m-70 -82.7 -14.46 54.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.17 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 78' ' ' HIS . 0.5 OUTLIER 75.92 -174.75 0.11 Allowed 'General case' 0 CA--C 1.529 0.168 0 CA-C-O 120.731 0.301 . . . . 0.0 110.932 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.76 HG23 ' HG2' ' A' ' 82' ' ' LYS . 0.3 OUTLIER -51.12 171.31 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.076 -179.887 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 5.2 mp -75.71 -17.83 59.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.606 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.76 ' HG2' HG23 ' A' ' 80' ' ' THR . 0.1 OUTLIER -54.36 -30.36 51.49 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.78 0.324 . . . . 0.0 111.015 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.588 HG22 ' O ' ' A' ' 80' ' ' THR . 12.7 tt -59.79 -44.93 95.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.792 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.835 HD12 ' HG ' ' A' ' 88' ' ' LEU . 1.0 OUTLIER -58.98 -41.0 86.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.18 179.461 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -61.92 -26.8 68.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.111 179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -78.61 -49.65 6.5 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.389 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 6.0 p80 179.58 77.27 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.823 0.344 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.905 HD11 HD22 ' A' ' 54' ' ' LEU . 1.8 tm? . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.27 -0.872 . . . . 0.0 110.738 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 1.3 mp . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.753 0.311 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -77.17 136.3 38.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.626 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.2 tt -102.8 100.56 10.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.082 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -110.39 135.44 51.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.999 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.8 p -101.67 166.16 10.84 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.831 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.442 ' O ' HG23 ' A' ' 43' ' ' ILE . 2.5 mp -94.86 118.17 31.33 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 28.6 mttm -113.49 115.55 28.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -113.75 101.17 1.11 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.858 -0.687 . . . . 0.0 112.216 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.05 76.99 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.902 0.382 . . . . 0.0 111.446 -179.605 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.469 ' HB3' ' CD1' ' A' ' 15' ' ' LEU . 8.9 m-85 -72.61 127.38 32.37 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.116 179.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.478 ' O ' ' O ' ' A' ' 12' ' ' LEU . 23.1 p -147.51 162.86 38.2 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-O 121.34 0.591 . . . . 0.0 111.685 -179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.478 ' O ' ' O ' ' A' ' 11' ' ' THR . 8.1 mp 53.83 159.27 0.01 OUTLIER 'General case' 0 N--CA 1.45 -0.433 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.602 -179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.499 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -56.26 -19.26 13.29 Favored 'General case' 0 C--N 1.317 -0.811 0 CA-C-N 116.143 -0.48 . . . . 0.0 109.997 179.081 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.482 ' C ' ' CD ' ' A' ' 16' ' ' PRO . 2.6 p30 -89.3 11.1 19.94 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.907 178.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.516 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER -44.85 -33.67 1.49 Allowed Pre-proline 0 CA--C 1.537 0.454 0 N-CA-C 113.001 0.741 . . . . 0.0 113.001 179.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 20.4 Cg_exo -68.87 53.58 0.8 Allowed 'Trans proline' 0 C--N 1.354 0.857 0 C-N-CA 122.037 1.824 . . . . 0.0 112.627 -179.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -62.4 75.18 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.153 0.501 . . . . 0.0 111.179 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.451 ' N ' ' O ' ' A' ' 16' ' ' PRO . 0.8 OUTLIER 165.36 -55.59 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.547 179.962 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -170.94 -69.47 0.02 OUTLIER 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.31 -0.859 . . . . 0.0 111.128 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -174.38 102.68 0.28 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.821 -179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.445 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 57.2 Cg_endo -71.38 -166.5 0.24 Allowed 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.48 2.12 . . . . 0.0 112.534 -179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.482 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 0.9 OUTLIER -81.35 -43.85 18.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.004 -179.853 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.715 HG21 HG21 ' A' ' 40' ' ' ILE . 10.4 p -56.13 -18.28 5.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.823 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -46.2 -53.59 10.27 Favored 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.748 0.277 . . . . 0.0 111.748 -179.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 4.5 p90 -54.78 -29.06 53.25 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.722 0.296 . . . . 0.0 110.906 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.478 ' NZ ' HG23 ' A' ' 23' ' ' VAL . 4.4 ttpm? -72.0 -22.55 61.4 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.499 179.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.12 -27.23 59.73 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.96 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.84 32.82 1.99 Allowed Glycine 0 C--N 1.333 0.376 0 C-N-CA 120.32 -0.943 . . . . 0.0 112.972 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.706 HD22 ' N ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -55.63 -22.97 25.16 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.689 0.28 . . . . 0.0 111.354 -179.92 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.706 ' N ' HD22 ' A' ' 29' ' ' LEU . 0.7 OUTLIER 177.98 42.75 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.597 179.594 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 56.78 42.54 26.53 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.596 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.447 ' CB ' HD11 ' A' ' 29' ' ' LEU . 6.3 tttm -76.18 -65.5 0.91 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.917 -179.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.66 141.74 26.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.082 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.556 HD22 ' N ' ' A' ' 34' ' ' LEU . 3.0 mm? -101.3 162.78 12.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.286 179.54 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.539 ' O ' ' N ' ' A' ' 37' ' ' ASP . 0.5 OUTLIER -87.08 -94.49 0.09 Allowed 'General case' 0 N--CA 1.452 -0.359 0 C-N-CA 121.044 -0.262 . . . . 0.0 110.711 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 62.3 -71.35 0.05 OUTLIER 'General case' 0 C--N 1.334 -0.081 0 CA-C-O 121.037 0.446 . . . . 0.0 110.128 -179.652 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.539 ' N ' ' O ' ' A' ' 35' ' ' SER . 30.2 t70 -114.68 3.01 14.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.466 178.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.493 ' CB ' ' HA ' ' A' ' 35' ' ' SER . 1.7 t70 -81.72 -173.17 4.28 Favored 'General case' 0 C--O 1.231 0.113 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.919 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.547 ' O ' HD13 ' A' ' 40' ' ' ILE . 16.2 mt-10 -159.96 153.0 21.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.094 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.715 HG21 HG21 ' A' ' 23' ' ' VAL . 26.2 mm -136.14 132.06 49.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.902 179.795 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 1.097 ' HB2' HD11 ' A' ' 56' ' ' LEU . . . -118.19 115.66 25.23 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.452 -179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.509 HG12 HG13 ' A' ' 53' ' ' VAL . 4.0 mt -132.48 137.31 54.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.545 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.442 HG23 ' O ' ' A' ' 6' ' ' LEU . 3.5 mp -139.7 139.75 37.54 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-O 120.834 0.349 . . . . 0.0 111.601 -179.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.57 131.1 39.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.691 179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.925 HD12 ' O ' ' A' ' 73' ' ' GLY . 2.7 mm -86.99 -66.24 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.186 -179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.9 -24.21 15.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.212 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 76.82 -62.0 3.27 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.645 -0.788 . . . . 0.0 112.364 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 1.8 t -74.99 -27.96 60.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.802 0.334 . . . . 0.0 110.804 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 11.6 mm100 -88.96 -61.58 1.67 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 18.7 p -177.07 173.77 1.78 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.921 0.391 . . . . 0.0 111.29 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 9.9 p30 -136.89 -172.82 3.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.682 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.703 ' HD2' HD11 ' A' ' 45' ' ' ILE . 3.5 p80 -133.27 143.84 49.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.855 0.36 . . . . 0.0 111.128 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.509 HG13 HG12 ' A' ' 42' ' ' ILE . 40.4 t -108.02 133.78 51.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.824 179.712 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -129.53 132.59 46.9 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.089 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -93.98 132.98 37.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.597 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 1.097 HD11 ' HB2' ' A' ' 41' ' ' ALA . 68.5 mt -111.54 79.12 1.18 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.016 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -60.38 -27.32 67.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.641 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 23.0 t -152.32 -63.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.674 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.713 ' CE2' HD13 ' A' ' 65' ' ' ILE . 29.5 t80 51.72 86.14 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.224 179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.5 p30 -100.28 124.48 45.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.849 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.1 m -48.49 121.62 4.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.074 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 62' ' ' VAL . 14.4 p -166.5 29.54 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.281 -179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 24.5 t70 70.62 -57.61 0.58 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.3 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -55.76 -37.26 68.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.795 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.713 HD13 ' CE2' ' A' ' 59' ' ' TYR . 1.8 pp -64.68 -36.32 77.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.849 179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 17.1 mtp-105 -69.83 -52.24 26.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.596 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.5 mtpt -55.88 -29.19 59.59 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.122 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -66.09 -46.57 77.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.822 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 tp -59.5 -64.79 0.82 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.09 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -47.71 -33.22 6.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.949 0.404 . . . . 0.0 110.77 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.41 ' O ' ' HB2' ' A' ' 75' ' ' LYS . 11.4 mt-10 -63.74 -42.24 97.89 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.254 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -87.04 6.74 30.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.297 179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.925 ' O ' HD12 ' A' ' 45' ' ' ILE . . . -89.69 -48.75 3.58 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.844 -0.693 . . . . 0.0 112.496 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -168.16 33.65 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.673 0.273 . . . . 0.0 111.665 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.41 ' HB2' ' O ' ' A' ' 71' ' ' GLU . 7.5 mmtp -100.04 158.4 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.763 0.316 . . . . 0.0 110.89 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 13.4 pt -68.26 70.43 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.054 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 22.5 p30 -179.23 -170.08 0.16 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.59 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.5 t-80 61.09 91.56 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.822 0.344 . . . . 0.0 110.64 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.476 ' O ' HG22 ' A' ' 80' ' ' THR . 10.0 t -177.57 -171.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.907 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.564 HG23 ' HB2' ' A' ' 82' ' ' LYS . 15.0 t 45.67 27.72 0.46 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.654 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.783 ' HA ' HD13 ' A' ' 84' ' ' LEU . 0.5 OUTLIER 48.47 26.3 1.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.588 179.583 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.564 ' HB2' HG23 ' A' ' 80' ' ' THR . 0.9 OUTLIER -80.34 -58.82 2.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.822 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.7 pp -54.48 -25.06 13.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.808 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.783 HD13 ' HA ' ' A' ' 81' ' ' LEU . 4.6 mp -73.01 -45.18 59.25 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.254 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.416 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 7.3 pt-20 -72.83 -13.18 61.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.41 179.166 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.89 -26.58 14.35 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.669 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 8.1 p80 -165.35 60.68 0.12 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.836 0.35 . . . . 0.0 111.383 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.448 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.248 0.978 0 CA-C-O 118.288 -0.863 . . . . 0.0 111.0 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.926 0.393 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -118.44 -178.25 3.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.787 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.596 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.8 tp -59.35 108.46 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -57.74 118.65 5.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.111 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 2.3 p -129.67 78.46 1.85 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.1 mp -75.28 123.15 24.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -129.11 76.56 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.897 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.733 ' O ' HD13 ' A' ' 9' ' ' ILE . . . -82.05 164.56 44.46 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.374 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.733 HD13 ' O ' ' A' ' 8' ' ' GLY . 26.3 mm -139.68 102.52 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.858 0.361 . . . . 0.0 111.325 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.49 ' CZ ' ' HA ' ' A' ' 16' ' ' PRO . 0.9 OUTLIER -69.98 120.4 15.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.568 179.681 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.473 ' O ' ' O ' ' A' ' 12' ' ' LEU . 9.5 t -131.2 113.88 14.4 Favored 'General case' 0 C--O 1.235 0.324 0 CA-C-O 121.195 0.521 . . . . 0.0 111.53 -179.802 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.473 ' O ' ' O ' ' A' ' 11' ' ' THR . 0.4 OUTLIER 56.46 142.83 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.27 179.641 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.39 -26.45 2.08 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.474 179.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.46 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 36.2 t70 -53.97 -42.57 69.07 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.225 179.693 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.11 103.08 20.44 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.612 -0.267 . . . . 0.0 110.86 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.49 ' HA ' ' CZ ' ' A' ' 10' ' ' PHE . 82.5 Cg_endo -91.6 39.29 0.3 Allowed 'Trans proline' 0 N--CA 1.457 -0.658 0 C-N-CA 122.822 2.348 . . . . 0.0 112.674 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.532 ' O ' ' HB2' ' A' ' 18' ' ' GLU . 1.0 OUTLIER 29.42 36.42 0.0 OUTLIER 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.071 -0.968 . . . . 0.0 112.634 179.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.532 ' HB2' ' O ' ' A' ' 17' ' ' GLU . 6.6 tp10 167.48 -70.39 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.256 0.55 . . . . 0.0 110.638 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.408 ' O ' ' HG3' ' A' ' 16' ' ' PRO . 12.3 t80 -169.4 -53.07 0.02 OUTLIER 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.265 -0.88 . . . . 0.0 110.956 -179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.7 tpt85 -106.07 134.59 19.69 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.855 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.417 ' HB2' ' HB2' ' A' ' 24' ' ' ASP . 19.5 Cg_endo -61.07 105.04 0.31 Allowed 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.557 2.172 . . . . 0.0 112.413 -179.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -93.16 -21.92 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.605 ' O ' HG12 ' A' ' 23' ' ' VAL . 29.8 t -100.28 10.35 7.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.423 179.87 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.417 ' HB2' ' HB2' ' A' ' 21' ' ' PRO . 13.7 t70 -84.1 -22.15 31.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.519 179.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -70.21 -36.95 74.92 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HE3' HG13 ' A' ' 23' ' ' VAL . 0.5 OUTLIER -72.06 -27.32 62.61 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.359 179.522 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -75.08 -26.78 59.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.621 179.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.04 24.26 6.01 Favored Glycine 0 C--N 1.332 0.322 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.517 179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.1 OUTLIER -65.08 -15.27 62.19 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.757 0.313 . . . . 0.0 111.545 -179.912 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 1.2 mt-10 -137.38 50.71 1.96 Allowed 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.947 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 10.4 ptmm? 48.18 41.01 15.05 Favored 'General case' 0 CA--C 1.521 -0.141 0 CA-C-O 121.287 0.565 . . . . 0.0 110.652 -179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 5.8 mtpt -92.92 17.0 11.32 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.255 -0.884 . . . . 0.0 111.279 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.724 ' O ' HD13 ' A' ' 34' ' ' LEU . 0.1 OUTLIER 45.59 -168.43 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.852 0.358 . . . . 0.0 111.42 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.724 HD13 ' O ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -126.28 130.41 50.82 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.82 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.35 -174.29 2.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 30.6 m-20 -102.98 -20.88 14.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.07 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 p-10 -97.23 23.28 7.6 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.058 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -69.49 98.29 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.802 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.4 ' C ' HD12 ' A' ' 40' ' ' ILE . 5.4 mm-40 -113.57 135.15 54.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.048 -179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.65 HG23 ' O ' ' A' ' 54' ' ' LEU . 4.1 mp -141.09 137.19 34.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.834 179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -108.42 118.6 37.21 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.097 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 22.8 mt -101.92 113.69 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.051 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.402 HG21 ' HA3' ' A' ' 73' ' ' GLY . 11.1 mm -118.8 110.04 28.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.057 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 77.3 p -119.23 145.03 46.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.815 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.72 HD11 ' O ' ' A' ' 73' ' ' GLY . 13.5 mt -132.35 33.11 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.097 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -177.79 -55.28 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.813 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 91.9 27.88 15.38 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.802 -0.714 . . . . 0.0 112.608 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 2.4 t -164.91 -44.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 110.828 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -114.82 -37.37 4.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.788 179.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -102.0 81.9 2.17 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -125.7 119.94 29.36 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 35.9 m-70 -135.46 148.95 49.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.042 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.458 ' O ' HG13 ' A' ' 53' ' ' VAL . 10.7 p -147.87 122.32 2.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.967 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.65 ' O ' HG23 ' A' ' 40' ' ' ILE . 5.3 mt -103.51 172.92 6.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.989 -179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -124.95 118.24 25.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mp -103.98 122.39 45.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.723 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 1.3 t -98.62 -56.33 2.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.087 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 27.2 t -103.96 -77.39 0.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.991 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.452 ' CZ ' HD12 ' A' ' 65' ' ' ILE . 3.1 t80 60.88 69.05 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.798 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -107.97 -21.63 12.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.142 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 4.4 m -54.9 -174.08 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.858 0.361 . . . . 0.0 111.091 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.6 HG22 ' OE2' ' A' ' 64' ' ' GLU . 12.5 m -113.81 -148.04 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.371 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.932 -179.808 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.536 ' N ' HG23 ' A' ' 62' ' ' VAL . 4.2 m-20 -46.73 -27.35 1.16 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-O 120.748 0.309 . . . . 0.0 111.537 -179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.6 ' OE2' HG22 ' A' ' 62' ' ' VAL . 3.1 pt-20 -52.31 -27.5 15.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.61 -179.771 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.452 HD12 ' CZ ' ' A' ' 59' ' ' TYR . 43.5 pt -109.48 -7.1 11.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 111.913 0.338 . . . . 0.0 111.913 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.445 ' HB2' ' HA ' ' A' ' 63' ' ' ASP . 11.8 mtp85 -78.93 -57.97 3.48 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.909 0.385 . . . . 0.0 111.172 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 13.5 ptmt -58.77 -39.71 81.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.389 -179.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 20.8 pt-20 -62.85 -43.93 97.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.51 -0.314 . . . . 0.0 111.014 -179.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.404 ' N ' ' HG3' ' A' ' 68' ' ' GLU . 31.8 tp -73.35 -49.61 26.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.79 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.83 -49.48 65.62 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.8 179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -70.99 -33.73 70.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.613 179.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.451 ' HB2' ' O ' ' A' ' 68' ' ' GLU . . . -53.3 -26.38 18.34 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.036 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.72 ' O ' HD11 ' A' ' 45' ' ' ILE . . . -93.98 -30.83 8.54 Favored Glycine 0 N--CA 1.45 -0.412 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.514 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.36 34.97 4.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.724 0.297 . . . . 0.0 111.451 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -100.04 -178.76 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.943 0.401 . . . . 0.0 111.031 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 19.3 pt -97.19 150.73 4.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.856 179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 77.28 -55.17 0.54 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.97 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER 69.08 11.28 8.24 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.436 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.685 HG21 HG23 ' A' ' 83' ' ' ILE . 0.2 OUTLIER 43.84 -163.23 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.645 -0.252 . . . . 0.0 111.328 179.674 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.585 HG23 ' O ' ' A' ' 80' ' ' THR . 9.8 t -170.85 97.75 0.22 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.121 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' CB ' ' O ' ' A' ' 80' ' ' THR . 0.7 OUTLIER 81.79 -44.01 0.17 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.617 179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.453 ' HA ' ' HG2' ' A' ' 85' ' ' GLU . 0.7 OUTLIER -52.95 -60.24 3.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.677 0.275 . . . . 0.0 111.29 -179.732 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.685 HG23 HG21 ' A' ' 79' ' ' THR . 1.8 pp -52.81 -29.82 14.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.438 -0.347 . . . . 0.0 111.086 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -72.18 -45.2 61.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.274 179.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.453 ' HG2' ' HA ' ' A' ' 82' ' ' LYS . 19.9 pt-20 -72.81 -19.95 61.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.424 179.159 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -94.22 -28.74 10.33 Favored Glycine 0 N--CA 1.448 -0.544 0 C-N-CA 120.663 -0.779 . . . . 0.0 112.319 179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -179.09 74.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.74 0.305 . . . . 0.0 111.251 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.679 HD22 ' OXT' ' A' ' 88' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.25 1.1 0 CA-C-O 118.208 -0.901 . . . . 0.0 110.782 179.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.411 ' O ' ' CG ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.778 0.323 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.482 ' O ' HG22 ' A' ' 3' ' ' ILE . 38.6 p90 43.51 57.44 3.92 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.474 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.482 HG22 ' O ' ' A' ' 2' ' ' PHE . 0.5 OUTLIER 70.75 138.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.026 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.437 ' H ' HD13 ' A' ' 3' ' ' ILE . . . -97.89 119.62 36.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.147 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.432 HG23 HG23 ' A' ' 3' ' ' ILE . 26.9 p -131.36 94.01 3.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.847 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.423 ' HA ' HD23 ' A' ' 6' ' ' LEU . 9.7 mt -116.44 152.84 33.2 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.071 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.429 ' HB3' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -143.26 160.39 40.58 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.742 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -134.35 110.74 0.88 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.64 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.651 ' O ' HG23 ' A' ' 9' ' ' ILE . 18.4 tt -81.97 79.73 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 121.078 0.466 . . . . 0.0 110.934 179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.698 ' CD1' HD11 ' A' ' 42' ' ' ILE . 21.7 m-85 -76.57 143.65 40.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.741 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.419 ' O ' ' O ' ' A' ' 12' ' ' LEU . 9.3 t -159.9 155.91 26.4 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.298 0.57 . . . . 0.0 111.512 -179.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.438 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER 57.2 158.0 0.02 OUTLIER 'General case' 0 N--CA 1.45 -0.451 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.287 -179.46 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.468 ' HA ' ' HE2' ' A' ' 13' ' ' LYS . 0.0 OUTLIER -54.43 -22.26 12.07 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.659 179.652 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.616 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 14.2 t70 -84.92 3.96 35.74 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.925 178.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.658 ' N ' ' HD2' ' A' ' 16' ' ' PRO . 2.4 pt? -41.56 -40.21 2.95 Favored Pre-proline 0 CA--C 1.538 0.488 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.658 ' HD2' ' N ' ' A' ' 15' ' ' LEU . 12.4 Cg_endo -54.73 71.63 0.03 OUTLIER 'Trans proline' 0 C--N 1.358 1.068 0 C-N-CA 122.07 1.847 . . . . 0.0 112.914 -179.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.584 ' N ' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -68.86 67.1 0.14 Allowed 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.784 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -179.24 -46.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.013 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -170.74 -86.84 0.01 OUTLIER 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.758 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -113.28 150.4 43.0 Favored Pre-proline 0 CA--C 1.529 0.15 0 CA-C-O 120.839 0.352 . . . . 0.0 111.219 -179.354 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.458 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 63.5 Cg_endo -73.34 123.65 8.87 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.863 2.375 . . . . 0.0 112.918 -179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 14.7 t80 -79.55 -39.05 32.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.296 179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.62 ' CG2' HD11 ' A' ' 15' ' ' LEU . 25.9 m -74.3 -8.58 11.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.026 179.417 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.0 OUTLIER -48.35 -31.03 5.53 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.887 0.375 . . . . 0.0 110.652 179.675 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 2.7 p90 -58.83 -35.68 73.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.13 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 32.5 tttp -65.64 -28.73 69.32 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.883 178.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.421 ' HB1' ' O ' ' A' ' 33' ' ' LYS . . . -68.47 -27.4 66.13 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.818 179.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.67 24.57 5.77 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.55 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.402 ' HA ' HD12 ' A' ' 29' ' ' LEU . 14.2 tp -79.83 -7.41 58.68 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.6 0.222 . . . . 0.0 111.6 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 tm-20 -162.32 43.63 0.14 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.949 0.404 . . . . 0.0 111.093 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt 57.7 43.73 21.69 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.845 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 23.8 ttpt -95.71 -12.86 24.79 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.866 -0.607 . . . . 0.0 111.224 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.421 ' O ' ' HB1' ' A' ' 27' ' ' ALA . 8.1 mtmm 65.31 -175.65 0.18 Allowed 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.904 0.383 . . . . 0.0 111.066 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.501 ' N ' HD23 ' A' ' 34' ' ' LEU . 0.1 OUTLIER -103.15 116.84 33.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.935 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.06 124.53 45.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.87 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -68.43 -16.79 64.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.234 179.884 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -99.17 24.31 8.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.07 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -67.3 160.6 26.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -160.99 119.73 2.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.99 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.485 HG22 ' N ' ' A' ' 41' ' ' ALA . 18.4 mt -150.48 160.32 4.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.174 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.485 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -146.75 144.25 29.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.152 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.698 HD11 ' CD1' ' A' ' 10' ' ' PHE . 0.0 OUTLIER -123.54 131.54 72.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.009 179.804 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.638 HG21 ' HA3' ' A' ' 73' ' ' GLY . 13.7 mm -117.04 116.17 51.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.274 -179.817 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.492 ' HA ' ' CB ' ' A' ' 51' ' ' ASN . 54.5 p -93.99 140.97 29.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.003 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 46' ' ' LYS . 22.3 pt -150.84 33.97 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.112 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.403 ' HG3' ' O ' ' A' ' 45' ' ' ILE . 0.3 OUTLIER 42.05 37.26 0.81 Allowed 'General case' 0 C--O 1.231 0.103 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.887 -179.658 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -72.24 51.03 1.34 Allowed Glycine 0 N--CA 1.451 -0.342 0 CA-C-N 115.805 -0.634 . . . . 0.0 113.005 -179.566 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 19.2 p 40.77 32.16 0.15 Allowed 'General case' 0 N--CA 1.462 0.156 0 CA-C-O 120.83 0.348 . . . . 0.0 111.242 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.543 ' O ' ' CB ' ' A' ' 50' ' ' SER . 17.7 mm100 -147.8 -76.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.316 -179.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.543 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 4.8 t 149.63 75.3 0.0 OUTLIER 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.962 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.492 ' CB ' ' HA ' ' A' ' 44' ' ' SER . 3.1 p-10 47.01 -170.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.501 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 28.0 p-80 -151.22 136.7 17.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.654 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.455 ' HA ' HG22 ' A' ' 42' ' ' ILE . 26.2 t -69.92 136.67 25.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.21 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.18 106.96 9.6 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.81 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.659 ' HB3' HD21 ' A' ' 88' ' ' LEU . 17.1 t80 -74.48 130.63 39.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.942 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.621 HD21 HD13 ' A' ' 69' ' ' LEU . 3.6 mt -109.01 113.12 25.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.792 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 21.3 t -74.19 -67.89 0.57 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.995 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.7 m -124.5 166.82 15.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.448 ' CE2' HG12 ' A' ' 65' ' ' ILE . 0.3 OUTLIER -167.97 88.26 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.88 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.01 27.53 8.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.047 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 8.8 m 57.08 43.26 24.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.101 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.734 ' CG2' HG23 ' A' ' 65' ' ' ILE . 28.0 m -88.34 21.82 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 N-CA-C 112.175 0.435 . . . . 0.0 112.175 -179.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 43.1 t0 68.31 -61.87 0.38 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.796 0.331 . . . . 0.0 111.351 179.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -47.27 -34.6 6.81 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.084 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.734 HG23 ' CG2' ' A' ' 62' ' ' VAL . 0.2 OUTLIER -70.66 -23.99 24.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.63 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 3.5 ttt180 -77.95 -70.53 0.48 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.374 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.22 -31.01 30.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.347 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.473 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 30.0 tp10 -65.34 -51.72 58.67 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.017 -179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.621 HD13 HD21 ' A' ' 56' ' ' LEU . 8.8 tp -69.84 -45.56 67.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.091 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -54.94 -47.09 74.92 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -78.1 -34.85 49.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.817 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 68' ' ' GLU . . . -57.05 -24.43 53.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.2 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.638 ' HA3' HG21 ' A' ' 43' ' ' ILE . . . -90.39 -43.44 4.92 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.663 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -103.82 32.67 3.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.792 0.329 . . . . 0.0 111.279 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.16 157.97 36.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.906 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.504 HD13 ' H ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -100.18 119.98 48.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.979 179.828 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.1 m120 62.8 118.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 70.1 m80 -89.17 172.38 9.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.063 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 12.0 t -108.52 -161.27 0.76 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.714 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 3.3 t -91.54 45.08 1.21 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.843 0.354 . . . . 0.0 111.092 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.606 ' O ' HD23 ' A' ' 81' ' ' LEU . 1.1 tt 55.74 23.06 5.94 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.228 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 10.6 tptp -80.07 -49.76 11.3 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.82 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.49 ' CD1' HD12 ' A' ' 84' ' ' LEU . 2.6 pp -56.97 -31.29 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.877 179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.49 HD12 ' CD1' ' A' ' 83' ' ' ILE . 4.4 mp -70.74 -43.07 69.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.183 179.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -71.1 -24.72 62.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.606 179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -96.39 -21.88 20.92 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.625 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -116.47 20.49 14.12 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.627 0.251 . . . . 0.0 111.248 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.659 HD21 ' HB3' ' A' ' 55' ' ' PHE . 3.3 tp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.225 -0.893 . . . . 0.0 110.924 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 66.6 tp . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.822 0.344 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.562 ' O ' HG22 ' A' ' 3' ' ' ILE . 50.7 t80 -65.05 125.52 25.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.728 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.562 HG22 ' O ' ' A' ' 2' ' ' PHE . 1.4 tp 50.4 121.17 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.986 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.64 103.76 15.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.088 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.938 HG22 HG22 ' A' ' 45' ' ' ILE . 40.0 p -121.14 119.21 31.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -149.61 137.12 20.04 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.6 mttt -108.54 120.27 41.94 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.887 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -105.26 157.96 16.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.591 -179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.8 mm -132.59 142.94 41.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 111.093 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.545 ' CZ ' ' HB3' ' A' ' 17' ' ' GLU . 1.8 m-85 -115.0 111.78 21.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.445 179.661 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.458 ' O ' ' O ' ' A' ' 12' ' ' LEU . 12.4 p -98.8 105.34 17.48 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.105 0.479 . . . . 0.0 111.289 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.458 ' O ' ' O ' ' A' ' 11' ' ' THR . 65.0 mt 57.71 137.2 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.843 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.402 ' CB ' ' HB2' ' A' ' 35' ' ' SER . 0.0 OUTLIER -45.16 -28.1 0.71 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.659 179.571 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.452 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 1.3 t70 -52.5 -51.59 58.71 Favored 'General case' 0 N--CA 1.456 -0.167 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.858 179.481 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.661 HD13 ' H ' ' A' ' 17' ' ' GLU . 1.2 tm? -83.87 109.41 18.45 Favored Pre-proline 0 CA--C 1.528 0.13 0 CA-C-N 116.494 -0.321 . . . . 0.0 110.382 179.621 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.531 ' HD2' HD22 ' A' ' 15' ' ' LEU . 94.2 Cg_endo -93.96 32.26 0.22 Allowed 'Trans proline' 0 N--CA 1.456 -0.706 0 C-N-CA 122.757 2.305 . . . . 0.0 113.126 -179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.661 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER 65.33 -45.29 0.36 Allowed 'General case' 0 C--N 1.319 -0.74 0 CA-C-N 115.25 -0.886 . . . . 0.0 112.596 179.466 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.531 ' N ' ' HG3' ' A' ' 17' ' ' GLU . 11.8 tt0 179.18 -28.89 0.01 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 N-CA-C 111.996 0.369 . . . . 0.0 111.996 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -149.64 79.76 1.38 Allowed 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.059 0.457 . . . . 0.0 111.741 -179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 61.49 147.16 0.08 OUTLIER Pre-proline 0 C--N 1.323 -0.567 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.377 179.28 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 68.3 Cg_endo -90.36 117.09 0.61 Allowed 'Trans proline' 0 N--CA 1.456 -0.703 0 C-N-CA 122.993 2.462 . . . . 0.0 112.607 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -76.31 -31.98 58.48 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.039 0.447 . . . . 0.0 110.339 179.706 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.578 HG23 ' HG2' ' A' ' 26' ' ' LYS . 9.4 p -61.34 -18.76 19.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.325 179.859 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -47.25 -39.3 14.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.561 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.469 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -62.79 -48.64 78.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 110.524 179.881 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.578 ' HG2' HG23 ' A' ' 23' ' ' VAL . 0.0 OUTLIER -69.43 -19.0 63.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.407 179.36 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -82.17 -25.2 34.5 Favored 'General case' 0 N--CA 1.454 -0.23 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.599 179.237 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -130.43 24.71 4.37 Favored Glycine 0 C--N 1.333 0.4 0 C-N-CA 120.608 -0.806 . . . . 0.0 112.713 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -58.34 -21.28 49.01 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.857 0.36 . . . . 0.0 111.309 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 0.1 OUTLIER -149.88 44.35 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.008 -179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 14.9 pttp 48.42 39.89 13.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.36 0.6 . . . . 0.0 110.77 -179.646 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.8 tttt -61.76 -69.33 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.233 -0.894 . . . . 0.0 110.937 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.595 ' C ' HD22 ' A' ' 34' ' ' LEU . 8.0 tttp -164.91 -171.9 2.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.96 0.41 . . . . 0.0 111.235 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.662 HD22 ' N ' ' A' ' 34' ' ' LEU . 1.7 mm? -125.53 -165.37 1.41 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.842 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.506 ' O ' ' N ' ' A' ' 37' ' ' ASP . 47.6 t -56.02 -115.3 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.123 -179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 2.2 t0 65.2 -67.84 0.12 Allowed 'General case' 0 C--O 1.231 0.119 0 CA-C-O 120.994 0.426 . . . . 0.0 109.955 -179.339 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.506 ' N ' ' O ' ' A' ' 35' ' ' SER . 2.6 p30 -135.66 14.09 3.42 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.623 179.144 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -65.51 147.08 54.01 Favored 'General case' 0 C--O 1.231 0.094 0 CA-C-O 120.847 0.356 . . . . 0.0 111.021 -179.817 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -164.6 145.61 7.97 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.809 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.802 HD12 ' HA ' ' A' ' 55' ' ' PHE . 1.2 tp -146.17 142.33 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.929 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 40' ' ' ILE . . . -114.84 117.65 31.32 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.941 0.4 . . . . 0.0 111.313 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.622 HG22 ' HA ' ' A' ' 53' ' ' VAL . 1.5 pt -116.3 134.99 57.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.754 179.757 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 20.9 mt -134.74 132.27 54.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.915 0.388 . . . . 0.0 111.663 -179.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.744 ' O ' HG23 ' A' ' 45' ' ' ILE . 76.5 p -108.6 156.4 19.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.369 179.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.938 HG22 HG22 ' A' ' 5' ' ' THR . 1.5 pp -168.22 65.89 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.897 0.379 . . . . 0.0 111.558 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HD3' ' HA ' ' A' ' 46' ' ' LYS . 0.1 OUTLIER 45.54 30.41 0.76 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.27 179.61 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -70.33 65.79 0.75 Allowed Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.592 -0.813 . . . . 0.0 111.895 179.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 73.18 -63.45 0.43 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.743 0.306 . . . . 0.0 110.548 -179.328 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -179.56 53.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.815 179.763 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 177.7 -165.33 0.04 OUTLIER 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.904 0.383 . . . . 0.0 111.192 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.401 ' HB3' ' CB ' ' A' ' 44' ' ' SER . 13.1 p30 -149.4 165.37 32.28 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.781 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -99.69 142.61 30.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.766 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.737 HG22 HD11 ' A' ' 40' ' ' ILE . 13.0 p -104.38 120.17 54.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.19 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.797 ' HG ' HD11 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -107.86 132.59 53.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.801 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.802 ' HA ' HD12 ' A' ' 40' ' ' ILE . 44.0 t80 -83.48 148.07 27.46 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -110.99 92.96 4.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.754 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -54.07 -69.09 0.13 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.038 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.2 p -177.53 61.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 2.1 m-85 -121.28 132.34 54.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.94 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -138.42 27.36 2.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.777 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.736 ' O ' HG12 ' A' ' 62' ' ' VAL . 3.3 m -164.69 -160.24 0.5 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.601 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.736 HG12 ' O ' ' A' ' 61' ' ' SER . 10.0 p 54.53 141.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 CA-C-O 121.157 0.503 . . . . 0.0 111.95 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -95.22 -27.37 15.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.995 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.77 -26.87 10.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.089 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -86.37 -42.27 15.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.996 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.4 ttt180 -70.62 -48.97 52.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -56.51 -30.74 63.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.096 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -75.83 -30.03 58.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.914 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.797 HD11 ' HG ' ' A' ' 54' ' ' LEU . 1.8 tp -77.33 -50.25 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.937 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -58.88 -31.24 68.4 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.112 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.12 -28.44 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -64.88 -30.72 71.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.06 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -85.14 -36.91 10.42 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.804 -0.712 . . . . 0.0 112.592 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -96.02 -64.73 1.03 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.179 0.514 . . . . 0.0 111.183 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -57.84 -164.07 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.739 0 CA-C-N 115.323 -0.853 . . . . 0.0 110.908 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.441 HG22 ' N ' ' A' ' 77' ' ' ASN . 31.1 mm -50.19 155.16 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.884 0.373 . . . . 0.0 111.266 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.441 ' N ' HG22 ' A' ' 76' ' ' ILE . 55.7 p30 -85.96 -170.22 3.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.966 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.528 ' HA ' HD12 ' A' ' 83' ' ' ILE . 72.5 m80 -52.42 -25.48 10.09 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.323 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 62.72 89.96 0.08 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.049 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.861 ' O ' HD12 ' A' ' 81' ' ' LEU . 7.0 t 43.91 55.52 5.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.472 179.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.861 HD12 ' O ' ' A' ' 80' ' ' THR . 0.0 OUTLIER 44.04 37.04 1.62 Allowed 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.333 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -78.5 -51.68 9.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.065 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.528 HD12 ' HA ' ' A' ' 78' ' ' HIS . 31.6 mt -54.32 -38.56 40.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-O 120.791 0.329 . . . . 0.0 110.879 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 81' ' ' LEU . 5.8 mt -65.58 -41.15 93.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.211 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.1 tp10 -72.54 -13.48 61.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.533 179.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -92.19 -31.08 9.35 Favored Glycine 0 N--CA 1.448 -0.529 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.9 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 18.8 p80 -175.25 66.72 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.887 0.375 . . . . 0.0 111.579 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.424 ' CB ' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.972 179.564 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 13.6 tp . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.796 0.331 . . . . 0.0 111.185 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 59.6 t80 59.89 71.06 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.891 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.9 mm -68.13 124.99 24.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.068 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.8 94.89 9.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.128 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 42.7 p -100.45 95.68 6.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.763 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.444 HD11 ' OG ' ' A' ' 44' ' ' SER . 0.1 OUTLIER -110.51 99.65 8.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.995 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.12 110.65 21.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.794 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -110.46 132.43 10.98 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.616 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.427 ' O ' HG22 ' A' ' 9' ' ' ILE . 1.0 OUTLIER -92.1 116.24 32.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.865 0.364 . . . . 0.0 110.755 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.457 ' CZ ' HG13 ' A' ' 42' ' ' ILE . 4.2 m-30 -78.63 104.4 9.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.468 179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.519 ' O ' ' O ' ' A' ' 12' ' ' LEU . 1.2 p -88.13 105.97 17.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.076 0.465 . . . . 0.0 111.205 -179.682 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.798 HD22 ' O ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 55.78 138.8 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.498 -0.774 . . . . 0.0 110.654 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.441 ' HD3' HD12 ' A' ' 34' ' ' LEU . 1.9 ptpp? -47.09 -24.87 0.73 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.859 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.526 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 5.9 t70 -53.97 -42.11 68.6 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.045 179.452 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.9 mp -100.86 79.7 0.23 Allowed Pre-proline 0 CA--C 1.532 0.257 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.011 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.526 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 59.9 Cg_endo -71.38 54.88 1.91 Allowed 'Trans proline' 0 C--N 1.347 0.462 0 C-N-CA 122.785 2.323 . . . . 0.0 113.246 -179.58 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.449 ' CG ' ' CE1' ' A' ' 10' ' ' PHE . 5.3 tm-20 61.9 -72.2 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.402 179.592 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.8 tm-20 -128.99 -36.77 1.75 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.91 0.386 . . . . 0.0 111.621 -179.507 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -169.81 -70.55 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.259 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.5 tpt180 -124.05 112.27 28.55 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-N 116.394 -0.367 . . . . 0.0 110.925 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.448 ' HD3' ' HB2' ' A' ' 16' ' ' PRO . 86.0 Cg_endo -92.94 178.52 1.27 Allowed 'Trans proline' 0 N--CA 1.455 -0.766 0 C-N-CA 122.974 2.449 . . . . 0.0 112.523 -179.687 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.406 ' O ' ' CD1' ' A' ' 25' ' ' TYR . 90.1 m-85 -92.01 -28.78 16.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.615 179.495 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.714 HG11 HG21 ' A' ' 40' ' ' ILE . 7.8 m -73.2 -13.81 16.41 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.567 179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.5 p-10 -48.98 -37.71 21.01 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 120.758 0.314 . . . . 0.0 111.015 -179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.467 ' CD2' HD23 ' A' ' 29' ' ' LEU . 0.2 OUTLIER -59.88 -26.14 65.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.45 179.596 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 ttmt -66.56 -37.21 84.47 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.533 179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -65.53 -27.95 68.82 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.807 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.9 28.37 4.92 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.437 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.618 HD13 ' O ' ' A' ' 29' ' ' LEU . 0.3 OUTLIER -77.48 -12.55 59.97 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.679 0.276 . . . . 0.0 111.569 -179.758 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -177.99 46.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.964 0.411 . . . . 0.0 111.02 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 ttpt 61.53 45.98 7.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.815 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 tptm -66.62 -13.39 61.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.198 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 72.18 160.42 0.23 Allowed 'General case' 0 C--N 1.334 -0.093 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.583 HD22 ' N ' ' A' ' 34' ' ' LEU . 2.4 mm? -78.47 93.32 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.8 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.6 p -87.49 86.19 7.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.763 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.798 ' O ' HD22 ' A' ' 12' ' ' LEU . 9.8 p-10 -59.4 -20.26 53.55 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.193 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -98.49 5.54 47.91 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.627 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -87.56 157.17 19.21 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.92 0.391 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -146.21 159.05 43.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.947 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.714 HG21 HG11 ' A' ' 23' ' ' VAL . 28.9 mt -147.07 117.47 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.236 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' H ' HD13 ' A' ' 56' ' ' LEU . . . -84.94 127.04 34.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.057 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.724 HD13 HG23 ' A' ' 53' ' ' VAL . 28.6 mm -113.68 115.21 49.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.024 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 29.9 mm -100.1 107.43 20.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.146 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.444 ' OG ' HD11 ' A' ' 6' ' ' LEU . 6.5 t -95.45 109.65 21.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.817 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.511 HD13 ' O ' ' A' ' 73' ' ' GLY . 41.1 pt -151.18 -168.85 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.836 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -46.46 -77.35 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.087 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 43.45 38.79 4.1 Favored Glycine 0 C--N 1.333 0.363 0 C-N-CA 121.058 -0.592 . . . . 0.0 112.921 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 51.19 52.88 13.98 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.886 0.374 . . . . 0.0 110.935 -179.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 65.08 66.69 0.55 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.778 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t -177.39 167.81 2.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.004 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 p30 -119.58 137.33 53.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.848 179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 16.9 m170 -89.47 126.57 35.62 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.958 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.724 HG23 HD13 ' A' ' 42' ' ' ILE . 14.1 p -109.19 143.04 20.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.061 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.6 mt -141.52 120.58 12.88 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.928 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -76.04 134.74 40.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.402 HD13 ' H ' ' A' ' 41' ' ' ALA . 8.0 mp -98.67 109.59 22.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.799 179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.7 t -96.19 -39.5 9.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.983 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 3.1 m -140.0 34.13 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.005 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.48 ' CZ ' HG12 ' A' ' 65' ' ' ILE . 1.6 t80 -67.19 -172.39 0.21 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.771 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.423 ' O ' ' O ' ' A' ' 59' ' ' TYR . 3.1 p-10 49.2 109.24 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.854 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -176.93 -52.03 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.854 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.535 ' O ' HD12 ' A' ' 65' ' ' ILE . 4.1 m -146.42 -174.79 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.961 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.72 1.45 38.65 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.825 0.345 . . . . 0.0 110.86 179.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -84.8 -31.1 24.06 Favored 'General case' 0 N--CA 1.455 -0.212 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.072 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.858 HD13 ' N ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -81.25 -25.51 10.4 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.182 0 C-N-CA 120.744 -0.382 . . . . 0.0 110.736 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.858 ' N ' HD13 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -77.9 -35.93 50.18 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.222 179.224 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -32.87 74.77 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.039 179.316 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.61 -54.01 42.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.468 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.3 tp -61.11 -48.11 83.15 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.556 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.2 tt0 -57.64 -33.07 67.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.343 179.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.401 ' HA ' ' CD ' ' A' ' 75' ' ' LYS . 20.3 tt0 -66.55 -39.4 88.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.517 179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.39 -5.11 53.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.433 179.685 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.511 ' O ' HD13 ' A' ' 45' ' ' ILE . . . -84.2 -65.03 1.55 Allowed Glycine 0 C--N 1.332 0.334 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.847 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -113.46 -15.9 12.52 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.754 0.311 . . . . 0.0 111.804 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.401 ' CD ' ' HA ' ' A' ' 71' ' ' GLU . 9.4 mttp -100.12 -157.7 0.62 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.786 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 4.1 mt -44.04 125.97 0.96 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 120.803 0.335 . . . . 0.0 111.481 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -99.59 -175.8 3.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.157 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.82 ' O ' HG22 ' A' ' 80' ' ' THR . 26.5 m-70 -62.29 -59.17 5.4 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.959 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.54 HG22 ' O ' ' A' ' 78' ' ' HIS . 14.6 t 46.79 31.06 1.32 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.363 -179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.82 HG22 ' O ' ' A' ' 78' ' ' HIS . 1.8 t 174.94 -28.81 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.122 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.489 ' HB3' HD21 ' A' ' 84' ' ' LEU . 5.2 mt 74.36 23.3 2.03 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-O 120.887 0.375 . . . . 0.0 110.88 -179.804 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.48 ' H ' HG23 ' A' ' 80' ' ' THR . 0.6 OUTLIER -75.3 -29.37 60.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.75 179.79 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 50.7 mt -58.4 -59.66 3.29 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.458 179.502 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 81' ' ' LEU . 0.5 OUTLIER -56.03 -35.63 67.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.166 179.254 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -66.81 -26.57 67.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.146 178.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -72.0 -32.94 62.89 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.278 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -168.57 71.67 0.09 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.91 0.386 . . . . 0.0 111.165 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.442 ' HB2' ' HA ' ' A' ' 84' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.078 0 CA-C-O 118.216 -0.897 . . . . 0.0 110.692 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.552 HD22 ' N ' ' A' ' 1' ' ' LEU . 2.9 mm? . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 120.73 0.3 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.618 ' HB3' HD12 ' A' ' 3' ' ' ILE . 0.8 OUTLIER 67.91 -69.85 0.13 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 179.943 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.618 HD12 ' HB3' ' A' ' 2' ' ' PHE . 4.8 mp -73.15 112.69 9.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.886 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -87.7 94.67 9.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.07 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.577 HG22 ' HA ' ' A' ' 45' ' ' ILE . 0.8 OUTLIER -121.07 157.84 29.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.94 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.8 tp -150.15 143.4 25.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.714 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 14.2 mttt -112.24 74.08 0.85 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.044 -179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -68.41 151.32 51.63 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.641 -0.79 . . . . 0.0 112.241 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 17.0 mt -133.0 100.48 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.86 0.362 . . . . 0.0 111.325 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.764 ' CD2' HD13 ' A' ' 42' ' ' ILE . 0.1 OUTLIER -98.51 102.55 14.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.165 -0.471 . . . . 0.0 109.894 179.617 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.954 ' O ' HD22 ' A' ' 12' ' ' LEU . 1.1 t -100.3 -177.75 3.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.972 -178.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.954 HD22 ' O ' ' A' ' 11' ' ' THR . 0.0 OUTLIER 46.17 152.48 0.0 OUTLIER 'General case' 0 N--CA 1.468 0.443 0 C-N-CA 123.914 0.886 . . . . 0.0 111.945 -177.852 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.472 ' O ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.76 -26.45 0.39 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.091 -0.959 . . . . 0.0 112.436 -178.538 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.517 ' HB2' HD23 ' A' ' 12' ' ' LEU . 0.9 OUTLIER -81.59 -17.0 49.83 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 111.533 0.198 . . . . 0.0 111.533 -179.619 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.861 ' O ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -9.47 73.79 0.02 OUTLIER Pre-proline 0 N--CA 1.474 0.759 0 C-N-CA 123.927 0.891 . . . . 0.0 113.299 -179.808 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.515 ' N ' ' O ' ' A' ' 14' ' ' ASP . 84.3 Cg_endo -102.76 48.89 0.03 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.127 0 C-N-CA 123.378 2.719 . . . . 0.0 114.189 -178.558 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.534 ' HB3' ' CZ ' ' A' ' 10' ' ' PHE . 0.3 OUTLIER 25.26 -93.45 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.815 179.455 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 17.7 tt0 -157.06 17.94 0.3 Allowed 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.731 0.301 . . . . 0.0 110.938 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.9 t80 -170.58 79.78 0.09 Allowed 'General case' 0 C--N 1.334 -0.088 0 CA-C-O 121.023 0.439 . . . . 0.0 110.805 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.5 tpt85 62.62 137.73 0.04 OUTLIER Pre-proline 0 C--N 1.323 -0.568 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.923 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.401 ' HG3' ' HB3' ' A' ' 16' ' ' PRO . 30.9 Cg_exo -60.79 120.65 8.48 Favored 'Trans proline' 0 C--N 1.347 0.456 0 C-N-CA 122.496 2.131 . . . . 0.0 112.502 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 3.8 m-85 -100.15 -29.14 12.66 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.647 179.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.717 ' HB ' HD21 ' A' ' 15' ' ' LEU . 4.7 t -92.65 -13.28 8.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.35 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -47.72 -32.3 5.68 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.859 0.361 . . . . 0.0 111.043 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 3.1 p90 -60.19 -36.27 77.26 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.632 179.725 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.19 -34.58 76.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.262 179.414 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -69.24 -29.53 67.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.579 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -112.63 17.65 23.06 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.615 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 4.3 mt -54.76 -24.2 21.37 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.95 0.405 . . . . 0.0 111.13 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -178.11 40.25 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.884 179.7 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 6.4 mtmm 55.9 42.66 28.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.759 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -43.99 84.02 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.859 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 mmtp -178.12 104.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.83 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.43 52.49 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.08 168.2 9.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.972 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' HA ' ' HB3' ' A' ' 13' ' ' LYS . 0.6 OUTLIER -81.8 0.7 38.09 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.464 179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -99.86 25.03 7.69 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.68 0.276 . . . . 0.0 110.969 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -83.43 134.17 34.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.026 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -139.46 141.44 37.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.844 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.538 HD13 HG11 ' A' ' 23' ' ' VAL . 20.1 mt -150.02 127.43 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.239 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.548 ' HB2' HD22 ' A' ' 56' ' ' LEU . . . -103.21 112.21 24.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.945 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.861 HG13 HG23 ' A' ' 53' ' ' VAL . 2.9 mp -107.17 125.81 63.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.07 -179.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.497 HD12 ' N ' ' A' ' 43' ' ' ILE . 3.9 mp -119.49 103.63 14.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.999 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 13.5 m -73.09 144.05 47.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.001 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.729 HD13 ' H ' ' A' ' 45' ' ' ILE . 0.2 OUTLIER -135.51 -38.02 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.314 179.789 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.464 ' CB ' ' HB2' ' A' ' 49' ' ' GLN . 0.1 OUTLIER -139.8 98.59 3.5 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.234 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -53.24 -37.43 54.85 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.722 -0.751 . . . . 0.0 111.874 179.509 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.9 t -67.2 -31.79 72.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.997 0.427 . . . . 0.0 110.155 179.186 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.464 ' HB2' ' CB ' ' A' ' 46' ' ' LYS . 1.3 mm100 -77.96 -78.77 0.13 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.536 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.444 ' CB ' ' O ' ' A' ' 49' ' ' GLN . 0.8 OUTLIER 163.96 37.89 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.544 179.739 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.49 ' HA ' HD13 ' A' ' 45' ' ' ILE . 10.9 m-80 48.78 -167.24 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.752 0.311 . . . . 0.0 111.017 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -142.73 92.59 2.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.918 0.389 . . . . 0.0 110.636 179.613 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.861 HG23 HG13 ' A' ' 42' ' ' ILE . 8.5 p -82.72 142.8 13.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.367 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 54' ' ' LEU . 0.2 OUTLIER -143.22 130.18 20.58 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.778 179.741 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -69.89 146.36 51.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.095 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.548 HD22 ' HB2' ' A' ' 41' ' ' ALA . 1.7 tp -137.15 143.66 42.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 58.6 m -100.01 -77.04 0.54 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 8.4 p -177.97 138.88 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.847 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -145.42 -47.17 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.965 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 22.7 t30 60.67 30.83 19.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.838 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -156.62 149.52 23.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.863 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.1 m -117.57 116.85 53.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.145 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -178.31 -78.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -85.62 -42.5 14.28 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.793 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 18.6 tt -62.83 -30.9 50.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.966 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.7 tmm_? -75.61 -49.37 18.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.963 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.87 -31.47 69.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.001 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -72.38 -55.23 7.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.16 -179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.17 -50.42 73.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.266 -179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -51.94 -36.81 50.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.846 0.355 . . . . 0.0 110.819 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -64.22 -42.91 96.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.716 179.674 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -79.44 -24.64 42.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.083 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -56.66 -59.51 10.66 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.59 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -175.52 40.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 111.293 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 2.5 tppt? -81.29 -85.06 0.1 Allowed 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.968 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -100.22 -82.17 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.222 179.77 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 20.5 p-10 -166.6 160.9 15.54 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.863 0.363 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 7.3 m80 -91.32 174.34 7.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.454 HG21 ' HB3' ' A' ' 82' ' ' LYS . 3.1 t -123.68 52.05 1.46 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.828 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 53.9 m 62.39 -85.25 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.241 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.5 mt -148.72 29.0 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.746 0.308 . . . . 0.0 111.055 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.454 ' HB3' HG21 ' A' ' 79' ' ' THR . 0.1 OUTLIER -77.27 -55.71 5.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.407 -0.36 . . . . 0.0 111.092 -179.859 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.536 HG13 HD12 ' A' ' 84' ' ' LEU . 37.1 pt -56.74 -31.5 35.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.046 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.536 HD12 HG13 ' A' ' 83' ' ' ILE . 4.7 mp -73.96 -31.83 63.19 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.517 179.617 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -78.28 -24.58 46.72 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.712 179.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.66 -21.26 10.6 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.729 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -105.99 -54.4 2.49 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.788 0.327 . . . . 0.0 110.945 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.417 HD13 HD23 ' A' ' 84' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.03 0 CA-C-O 118.304 -0.855 . . . . 0.0 110.948 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.633 ' O ' HD12 ' A' ' 1' ' ' LEU . 0.5 OUTLIER . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.892 0.377 . . . . 0.0 111.208 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 63.62 125.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.891 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 9.3 tp -75.74 148.34 7.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.018 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 5' ' ' THR . . . -104.16 146.31 28.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.979 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 4' ' ' ALA . 1.2 p -164.76 136.55 4.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.924 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.7 tp -118.98 120.38 37.09 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.859 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.48 114.62 16.35 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.977 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -142.22 162.18 27.21 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.827 -0.701 . . . . 0.0 112.459 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.446 ' O ' HG23 ' A' ' 9' ' ' ILE . 11.6 tt -117.14 123.6 72.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 121.222 0.534 . . . . 0.0 111.559 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.583 ' CD2' HG21 ' A' ' 23' ' ' VAL . 2.2 m-85 -114.47 111.82 22.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.231 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.492 ' O ' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.84 118.93 13.31 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.354 -0.61 . . . . 0.0 109.354 178.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.745 ' N ' ' HB2' ' A' ' 38' ' ' ASP . 4.6 tp -26.2 -48.15 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.787 0.662 . . . . 0.0 112.787 -178.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.692 ' HB3' HD12 ' A' ' 34' ' ' LEU . 14.2 mmtm -100.51 -46.91 5.06 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.741 0.305 . . . . 0.0 111.107 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.478 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 67.3 m-20 -94.59 38.55 1.1 Allowed 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.915 0.388 . . . . 0.0 111.243 -179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.707 ' N ' ' CD ' ' A' ' 16' ' ' PRO . 3.5 pp -85.33 -20.08 0.26 Allowed Pre-proline 0 C--N 1.328 -0.347 0 N-CA-C 112.8 0.667 . . . . 0.0 112.8 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.707 ' CD ' ' N ' ' A' ' 15' ' ' LEU . 81.0 Cg_endo -82.12 54.0 4.8 Favored 'Trans proline' 0 N--CA 1.455 -0.783 0 C-N-CA 121.434 1.422 . . . . 0.0 112.999 -178.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -31.67 -36.46 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 115.424 -0.807 . . . . 0.0 112.175 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.424 ' N ' ' O ' ' A' ' 16' ' ' PRO . 1.1 tm-20 -88.8 -58.71 2.45 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.197 0.522 . . . . 0.0 111.223 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.427 ' O ' ' HB2' ' A' ' 16' ' ' PRO . 5.4 t80 -171.26 -60.35 0.02 OUTLIER 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.458 -0.792 . . . . 0.0 111.29 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -157.95 95.9 1.96 Allowed Pre-proline 0 C--N 1.332 -0.163 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.09 -179.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.515 ' CD ' ' HB3' ' A' ' 16' ' ' PRO . 87.0 Cg_endo -77.04 -158.49 0.08 OUTLIER 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.866 2.377 . . . . 0.0 112.394 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 28.5 p90 -88.68 -7.37 56.45 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.664 -179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.583 HG21 ' CD2' ' A' ' 10' ' ' PHE . 0.1 OUTLIER -100.67 -7.68 9.08 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.263 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.568 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -53.88 -23.4 12.5 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.686 0.279 . . . . 0.0 111.05 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.406 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.4 p90 -68.85 -31.72 70.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.7 179.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -32.78 73.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.639 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.413 ' HB2' ' O ' ' A' ' 12' ' ' LEU . . . -73.37 -18.0 61.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.497 -0.32 . . . . 0.0 110.957 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -137.74 28.63 2.73 Favored Glycine 0 C--N 1.333 0.397 0 C-N-CA 120.526 -0.845 . . . . 0.0 112.826 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.474 ' O ' HD12 ' A' ' 29' ' ' LEU . 0.5 OUTLIER -69.11 -11.83 61.14 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.702 0.251 . . . . 0.0 111.438 -179.791 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -169.65 47.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.891 0.376 . . . . 0.0 111.042 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.31 46.24 7.98 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.784 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.423 ' O ' ' CG ' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -68.46 -14.04 62.73 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.35 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.584 ' C ' HD13 ' A' ' 34' ' ' LEU . 4.8 ptpt 48.04 -176.05 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.245 0 CA-C-O 120.917 0.389 . . . . 0.0 111.449 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.703 HD22 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -117.49 119.08 33.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.79 -179.889 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.3 t -100.21 -90.28 0.32 Allowed 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.771 -179.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -179.8 -27.76 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.187 0 N-CA-C 111.589 0.218 . . . . 0.0 111.589 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -89.04 22.02 2.92 Favored 'General case' 0 N--CA 1.463 0.22 0 CA-C-O 121.057 0.455 . . . . 0.0 110.727 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.745 ' HB2' ' N ' ' A' ' 12' ' ' LEU . 4.6 p30 -53.31 93.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.684 -0.689 . . . . 0.0 112.318 -179.677 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.547 ' C ' HD12 ' A' ' 56' ' ' LEU . 33.6 mm-40 -125.85 100.62 6.47 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.876 0.369 . . . . 0.0 111.28 179.572 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.552 HG23 ' O ' ' A' ' 10' ' ' PHE . 5.8 tt -143.53 103.74 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.522 179.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -91.57 160.24 15.5 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.813 -179.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.788 HG12 HG23 ' A' ' 53' ' ' VAL . 21.1 mt -138.67 141.37 37.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.562 179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.631 ' N ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -142.83 156.53 17.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.933 0.397 . . . . 0.0 111.495 -179.689 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.533 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 18.9 p -134.37 144.43 48.22 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.65 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.617 HG22 ' O ' ' A' ' 45' ' ' ILE . 3.9 mt -119.26 16.03 6.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.523 -179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 tppt? 55.9 30.36 15.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.841 0.353 . . . . 0.0 110.941 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -93.57 39.65 2.91 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.524 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 7.3 p 57.32 20.35 5.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.652 0.263 . . . . 0.0 111.239 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -156.05 19.2 0.37 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.344 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.0 t 42.74 32.95 0.42 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.851 0.357 . . . . 0.0 111.551 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.533 ' HB3' ' HA ' ' A' ' 44' ' ' SER . 46.6 t30 59.39 -110.29 0.48 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.571 -179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.446 ' CE1' ' OD1' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -170.54 175.94 4.52 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.97 0.414 . . . . 0.0 111.042 179.602 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.788 HG23 HG12 ' A' ' 42' ' ' ILE . 8.7 p -101.06 151.06 5.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.765 179.745 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.543 HD13 ' N ' ' A' ' 55' ' ' PHE . 0.5 OUTLIER -121.37 126.87 50.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.925 0.393 . . . . 0.0 111.188 -179.879 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.543 ' N ' HD13 ' A' ' 54' ' ' LEU . 15.5 t80 -93.54 110.3 21.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.547 HD12 ' C ' ' A' ' 39' ' ' GLU . 0.2 OUTLIER -94.8 148.53 22.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.754 -179.851 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.0 t -99.99 -32.98 10.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.844 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -175.39 164.3 3.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.705 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -124.95 136.96 54.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.927 0.394 . . . . 0.0 111.039 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.574 ' O ' HD12 ' A' ' 65' ' ' ILE . 11.0 m-20 -168.63 139.45 2.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.663 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 15.4 m 65.81 -169.58 0.2 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.806 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.3 m -152.42 82.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.192 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 179.11 -52.08 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -87.02 7.03 29.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.468 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.574 HD12 ' O ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -118.04 -39.8 2.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.82 0.343 . . . . 0.0 110.903 179.883 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 4.0 ttp180 -76.25 -37.89 57.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.808 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 36.5 mttt -58.25 -46.74 85.42 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.25 -43.75 69.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.99 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 16.9 mt -64.29 -52.07 60.39 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.822 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -51.3 -32.82 26.35 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 121.006 0.432 . . . . 0.0 110.539 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.442 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 1.6 mt-10 -63.23 -47.31 83.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.509 179.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.67 ' HB1' ' CE1' ' A' ' 78' ' ' HIS . . . -64.3 -29.7 70.78 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.085 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.453 ' O ' ' HB2' ' A' ' 74' ' ' ALA . . . -57.83 -65.08 3.79 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.456 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.453 ' HB2' ' O ' ' A' ' 73' ' ' GLY . . . 176.05 53.78 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.002 0.43 . . . . 0.0 111.002 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.442 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 1.3 tttm -99.85 -76.35 0.55 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.994 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.7 HG22 ' OD1' ' A' ' 77' ' ' ASN . 64.1 mt -82.72 -80.7 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.896 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.7 ' OD1' HG22 ' A' ' 76' ' ' ILE . 0.7 OUTLIER -177.94 25.39 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.605 179.8 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.67 ' CE1' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER 53.17 174.97 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.953 0.406 . . . . 0.0 111.3 179.734 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.73 ' OG1' HG23 ' A' ' 83' ' ' ILE . 65.6 p -124.5 2.46 8.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.016 179.395 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.508 HG23 ' C ' ' A' ' 79' ' ' THR . 1.4 p 75.5 -68.03 0.22 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.718 179.533 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.462 ' N ' ' OG1' ' A' ' 80' ' ' THR . 19.2 mt -147.76 12.17 0.99 Allowed 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.279 0.474 . . . . 0.0 112.279 -179.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -73.24 -50.79 20.45 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.777 0.322 . . . . 0.0 110.676 179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.73 HG23 ' OG1' ' A' ' 79' ' ' THR . 0.2 OUTLIER -52.44 -28.12 11.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.871 179.726 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.452 ' HA ' ' CB ' ' A' ' 88' ' ' LEU . 0.3 OUTLIER -69.37 -51.2 39.06 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.236 179.528 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -67.74 -17.22 64.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.193 179.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.76 -35.6 13.04 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.411 179.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.479 ' O ' HD12 ' A' ' 88' ' ' LEU . 7.2 p80 174.61 75.61 0.0 OUTLIER 'General case' 0 C--O 1.231 0.113 0 CA-C-O 120.747 0.308 . . . . 0.0 111.208 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 87' ' ' HIS . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.04 0 CA-C-O 118.223 -0.894 . . . . 0.0 110.917 179.711 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.677 ' N ' HD13 ' A' ' 1' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.672 0.273 . . . . 0.0 111.356 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -130.96 162.92 28.66 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 3' ' ' ILE . 9.1 tp -165.09 119.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.097 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -86.36 92.17 8.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.047 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.908 HG22 HG22 ' A' ' 45' ' ' ILE . 20.9 p -141.81 109.89 5.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.834 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.453 HD13 ' H ' ' A' ' 7' ' ' LYS . 0.1 OUTLIER -142.4 145.99 34.41 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.116 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.453 ' H ' HD13 ' A' ' 6' ' ' LEU . 1.9 ptpt -119.96 93.18 3.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.767 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.92 151.44 25.95 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.9 -0.667 . . . . 0.0 112.688 -179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 18.2 mt -122.0 113.35 38.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.875 0.369 . . . . 0.0 111.093 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.704 ' CZ ' HD12 ' A' ' 42' ' ' ILE . 1.0 OUTLIER -108.11 112.3 24.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.375 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.535 ' OG1' HD13 ' A' ' 15' ' ' LEU . 71.5 p -102.69 120.56 40.79 Favored 'General case' 0 C--O 1.234 0.253 0 CA-C-O 121.136 0.493 . . . . 0.0 111.81 -179.197 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.497 HD11 ' HA ' ' A' ' 36' ' ' ASP . 0.1 OUTLIER 58.51 139.02 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.606 -0.725 . . . . 0.0 111.08 179.432 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.711 ' CG ' ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -50.01 -25.37 3.31 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.524 179.358 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.57 -46.39 88.56 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.176 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.535 HD13 ' OG1' ' A' ' 11' ' ' THR . 0.3 OUTLIER -80.32 111.36 21.82 Favored Pre-proline 0 C--O 1.232 0.16 0 CA-C-O 120.58 0.229 . . . . 0.0 111.032 -179.801 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.461 ' O ' ' N ' ' A' ' 18' ' ' GLU . 92.1 Cg_endo -92.98 46.94 0.36 Allowed 'Trans proline' 0 N--CA 1.455 -0.758 0 C-N-CA 122.927 2.418 . . . . 0.0 112.379 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.537 ' HB2' ' CE2' ' A' ' 10' ' ' PHE . 7.6 tp10 63.9 -65.06 0.13 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.337 -0.847 . . . . 0.0 111.073 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 16' ' ' PRO . 5.8 tp10 -164.79 -29.82 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -179.583 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 30.4 t80 -170.84 91.64 0.16 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.897 0.38 . . . . 0.0 111.417 -179.485 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 55.08 106.2 0.03 OUTLIER Pre-proline 0 C--N 1.324 -0.533 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.964 179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.432 ' HD3' ' HB2' ' A' ' 16' ' ' PRO . 43.1 Cg_endo -95.34 159.01 1.61 Allowed 'Trans proline' 0 N--CA 1.454 -0.845 0 C-N-CA 123.022 2.481 . . . . 0.0 112.782 -179.371 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -89.39 8.31 31.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.406 178.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.82 HG13 ' HD2' ' A' ' 26' ' ' LYS . 46.8 t -100.21 -20.01 5.69 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.299 -179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -44.63 -36.7 3.2 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.991 -179.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.449 ' CG ' ' N ' ' A' ' 26' ' ' LYS . 5.6 p90 -61.77 -46.5 89.3 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 121.055 -0.258 . . . . 0.0 110.647 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.82 ' HD2' HG13 ' A' ' 23' ' ' VAL . 0.1 OUTLIER -63.49 -24.43 67.82 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.837 0.351 . . . . 0.0 110.301 179.373 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.711 ' HB1' ' CG ' ' A' ' 13' ' ' LYS . . . -72.34 -26.88 62.09 Favored 'General case' 0 N--CA 1.454 -0.253 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.647 179.319 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.35 37.52 1.74 Allowed Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.519 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.422 HD23 ' N ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -77.06 -5.28 48.24 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.585 0.231 . . . . 0.0 111.481 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.422 ' N ' HD23 ' A' ' 29' ' ' LEU . 3.2 tp10 -161.7 45.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.005 0.431 . . . . 0.0 111.023 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.7 mttm 59.58 45.0 13.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.745 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mtpt -78.15 -19.56 53.76 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.883 -0.598 . . . . 0.0 111.084 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp 64.67 -176.63 0.17 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.808 0.337 . . . . 0.0 110.864 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.494 HD23 ' HB3' ' A' ' 13' ' ' LYS . 0.8 OUTLIER -113.24 98.93 7.43 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.963 -179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -89.98 -174.52 4.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.497 ' HA ' HD11 ' A' ' 12' ' ' LEU . 2.7 p30 -120.54 28.2 8.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.974 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -139.31 13.05 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.336 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -100.2 138.86 36.69 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.846 0.355 . . . . 0.0 110.868 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.427 ' O ' HD13 ' A' ' 40' ' ' ILE . 8.0 tt0 -139.15 135.18 33.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.694 HG21 HG11 ' A' ' 23' ' ' VAL . 18.9 mm -125.11 142.23 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.128 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -132.84 115.03 14.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.866 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.704 HD12 ' CZ ' ' A' ' 10' ' ' PHE . 22.1 mt -98.11 118.06 44.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.423 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.584 HG21 ' HA2' ' A' ' 73' ' ' GLY . 33.6 mt -113.06 97.82 6.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.795 179.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.43 ' HA ' ' HB3' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -105.87 152.1 23.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.052 0.453 . . . . 0.0 111.224 -179.624 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.908 HG22 HG22 ' A' ' 5' ' ' THR . 0.7 OUTLIER -140.13 -176.96 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.447 179.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' A' ' 46' ' ' LYS . 0.0 OUTLIER -80.01 54.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.152 0.501 . . . . 0.0 111.5 -179.646 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -86.68 14.51 55.66 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.59 -0.814 . . . . 0.0 112.467 179.563 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 5.9 p 58.19 21.08 7.69 Favored 'General case' 0 C--N 1.333 -0.119 0 CA-C-O 120.745 0.307 . . . . 0.0 111.129 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER 175.17 39.95 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.708 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 74.25 -162.73 0.08 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.495 -179.757 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.669 ' ND2' HD11 ' A' ' 45' ' ' ILE . 11.3 t-20 -146.58 -115.0 0.08 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.721 -0.218 . . . . 0.0 111.265 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.0 m170 -121.83 153.65 38.06 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.793 0.33 . . . . 0.0 111.109 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.612 ' O ' HG13 ' A' ' 53' ' ' VAL . 10.7 p -121.91 106.4 17.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -100.07 -171.38 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.969 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.407 ' HE1' HD22 ' A' ' 88' ' ' LEU . 0.2 OUTLIER -166.87 151.92 7.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.885 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.642 ' N ' HD22 ' A' ' 56' ' ' LEU . 1.9 mm? -108.3 113.72 27.02 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.97 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 24.8 p -89.56 -47.58 7.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 4.3 p -137.66 76.73 1.6 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.918 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 24.9 t80 -87.55 136.43 32.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.826 179.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -104.4 -89.85 0.4 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.992 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 1.8 p 168.58 45.15 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.136 0 CA-C-O 120.869 0.366 . . . . 0.0 110.822 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 9.9 m -124.94 154.82 33.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.309 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -59.63 -28.4 67.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.121 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -57.02 -44.73 83.13 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.926 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 32.9 mm -80.84 -32.89 12.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 15.3 ttp180 -63.41 -42.28 98.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.778 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.6 tttt -70.88 -32.89 70.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -58.39 -45.2 88.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.1 tp -75.29 -37.28 60.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.773 179.741 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -60.44 -46.55 89.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.325 179.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.424 ' HG3' ' N ' ' A' ' 72' ' ' ALA . 7.9 pt-20 -61.84 -34.62 76.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.523 179.605 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.424 ' N ' ' HG3' ' A' ' 71' ' ' GLU . . . -81.57 -24.11 36.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.787 179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.584 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -58.38 -60.28 9.23 Favored Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.509 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -166.69 29.8 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.651 0.262 . . . . 0.0 111.566 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.415 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -100.2 -73.3 0.64 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.188 0.518 . . . . 0.0 110.766 179.64 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.2 tp -100.13 137.63 27.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.023 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 29.2 p30 -66.48 170.57 5.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.806 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -113.49 71.03 0.73 Allowed 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.822 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.587 ' C ' HG23 ' A' ' 80' ' ' THR . 0.2 OUTLIER -92.67 145.63 24.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.855 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.587 HG23 ' C ' ' A' ' 79' ' ' THR . 1.4 p 81.83 -36.66 0.11 Allowed 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.483 -179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER 64.38 15.36 9.45 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.711 0.291 . . . . 0.0 111.032 -179.672 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 85' ' ' GLU . 13.1 mtpt -77.59 -22.89 50.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.105 179.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.431 ' O ' ' CD2' ' A' ' 87' ' ' HIS . 8.7 pt -74.08 -33.18 34.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.886 0.374 . . . . 0.0 110.261 179.441 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.426 ' HA ' ' CD2' ' A' ' 87' ' ' HIS . 0.0 OUTLIER -69.23 -45.08 70.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.203 179.354 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 82' ' ' LYS . 0.0 OUTLIER -73.55 -12.16 60.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.385 179.052 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -95.07 -29.48 9.0 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.41 179.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 83' ' ' ILE . 4.7 p80 -104.19 -30.18 10.36 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-O 120.813 0.34 . . . . 0.0 110.956 179.836 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.421 ' HB2' ' CE1' ' A' ' 87' ' ' HIS . 12.1 tp . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.235 -0.888 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.813 0.34 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 51.7 t80 62.85 145.34 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.535 ' H ' HD12 ' A' ' 3' ' ' ILE . 4.2 mp -59.26 103.49 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.095 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -68.13 97.58 0.71 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.075 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -72.69 86.48 1.22 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.934 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.445 ' HA ' HD12 ' A' ' 6' ' ' LEU . 5.3 tp -60.05 129.91 44.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -141.63 72.64 1.39 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.877 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -80.0 135.48 15.16 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.28 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 33.8 mt -104.52 130.64 55.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 121.085 0.469 . . . . 0.0 111.399 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.704 ' CE2' HG22 ' A' ' 23' ' ' VAL . 3.1 m-85 -104.31 122.93 46.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.273 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.733 ' O ' HD12 ' A' ' 12' ' ' LEU . 9.9 t -100.83 146.07 27.76 Favored 'General case' 0 N--CA 1.463 0.222 0 N-CA-C 112.589 0.589 . . . . 0.0 112.589 -178.638 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.733 HD12 ' O ' ' A' ' 11' ' ' THR . 0.9 OUTLIER 38.33 -145.73 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 114.815 -1.084 . . . . 0.0 111.494 179.609 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.436 ' H ' ' HB2' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -87.65 -43.19 12.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.703 0.287 . . . . 0.0 111.174 -179.33 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.488 ' O ' ' N ' ' A' ' 16' ' ' PRO . 1.5 t70 -56.52 -23.13 37.71 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.042 179.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.693 HD21 HD12 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -13.5 78.28 0.02 OUTLIER Pre-proline 0 N--CA 1.473 0.722 0 N-CA-C 113.32 0.859 . . . . 0.0 113.32 -179.845 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.588 ' O ' ' N ' ' A' ' 18' ' ' GLU . 93.8 Cg_endo -98.08 47.53 0.09 OUTLIER 'Trans proline' 0 N--CA 1.449 -1.102 0 C-N-CA 122.86 2.373 . . . . 0.0 113.255 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.588 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 1.6 tt0 44.53 -82.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.216 179.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 16' ' ' PRO . 25.1 tt0 -162.48 31.3 0.11 Allowed 'General case' 0 N--CA 1.449 -0.492 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.168 -179.77 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -167.91 -61.03 0.03 OUTLIER 'General case' 0 C--O 1.232 0.156 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.362 -179.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' HG3' ' HD2' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -149.94 151.96 33.29 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-O 120.72 0.295 . . . . 0.0 111.295 -179.568 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.507 ' HA ' ' HA ' ' A' ' 16' ' ' PRO . 24.4 Cg_exo -63.55 114.46 2.55 Favored 'Trans proline' 0 C--N 1.347 0.495 0 C-N-CA 122.975 2.45 . . . . 0.0 112.607 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.21 -61.97 1.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.961 179.529 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.704 HG22 ' CE2' ' A' ' 10' ' ' PHE . 35.4 m -71.23 -9.41 12.79 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.65 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 43.6 t0 -48.49 -27.93 3.01 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-O 120.878 0.37 . . . . 0.0 110.665 179.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 4.2 p90 -60.23 -37.59 80.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.391 179.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' HG3' HD12 ' A' ' 29' ' ' LEU . 16.9 tttm -59.67 -41.22 90.12 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.57 179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.44 70.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.475 179.484 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -102.55 11.08 56.49 Favored Glycine 0 N--CA 1.45 -0.422 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.67 179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.602 HD12 ' HG3' ' A' ' 26' ' ' LYS . 4.6 mt -50.57 -24.94 3.58 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-O 120.88 0.372 . . . . 0.0 111.345 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 31' ' ' LYS . 6.9 pt-20 -176.28 43.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.042 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER 47.4 40.22 10.52 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.643 -179.784 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.3 tmtt? -54.04 -66.84 0.32 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.204 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.7 mtmt -164.07 106.03 0.91 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.962 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 12.0 mt -97.35 78.85 2.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.72 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 13.9 t -89.12 164.69 14.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -98.53 -15.5 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.205 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -109.6 25.83 11.34 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.178 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -60.35 171.18 1.11 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.772 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -155.96 116.86 3.81 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.232 -179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.693 HD12 HD21 ' A' ' 15' ' ' LEU . 18.7 mt -137.21 160.91 35.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.633 179.622 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.496 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -152.27 137.93 17.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.961 0.41 . . . . 0.0 111.86 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.748 HD12 HG22 ' A' ' 53' ' ' VAL . 22.7 mm -109.47 127.1 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.536 179.489 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.776 HG22 HD11 ' A' ' 45' ' ' ILE . 31.1 mt -111.46 123.48 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 121.005 0.431 . . . . 0.0 111.76 -179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.603 ' C ' HD12 ' A' ' 45' ' ' ILE . 0.5 OUTLIER -130.78 142.67 50.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.016 179.434 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.776 HD11 HG22 ' A' ' 43' ' ' ILE . 3.7 mp -145.97 66.19 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.88 0.372 . . . . 0.0 111.634 -179.435 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 46.43 29.44 0.88 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.181 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -77.07 56.7 3.59 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.271 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.418 ' O ' ' CG ' ' A' ' 49' ' ' GLN . 25.7 p 47.34 70.93 0.36 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.884 0.373 . . . . 0.0 110.691 -179.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.418 ' CG ' ' O ' ' A' ' 48' ' ' THR . 13.5 pt20 45.73 52.77 9.3 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.971 -0.558 . . . . 0.0 111.016 -179.487 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.19 154.91 42.91 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.88 -179.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -148.9 -177.29 5.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.768 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -124.97 130.67 52.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.985 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.748 HG22 HD12 ' A' ' 42' ' ' ILE . 28.1 t -108.27 99.22 8.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.876 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.5 mp -109.47 145.64 35.89 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.038 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.0 t80 -99.87 132.83 44.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.678 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.1 mt -108.65 128.92 55.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.927 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.94 35.13 1.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 6.3 p 63.21 135.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.988 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.475 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -159.39 28.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.223 179.888 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 45.49 -169.63 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.441 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.16 132.0 39.15 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.788 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.596 HG13 ' HB2' ' A' ' 64' ' ' GLU . 13.5 p -179.09 160.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.09 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.514 ' N ' HG22 ' A' ' 62' ' ' VAL . 3.7 p30 -53.33 -22.88 7.98 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.603 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.596 ' HB2' HG13 ' A' ' 62' ' ' VAL . 9.0 mm-40 -59.57 -50.64 73.11 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.852 0.358 . . . . 0.0 110.878 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.466 ' CG2' ' CE1' ' A' ' 59' ' ' TYR . 3.3 pt -64.8 -24.55 35.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.303 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' N ' HG13 ' A' ' 65' ' ' ILE . 0.0 OUTLIER -77.81 -34.48 52.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.686 179.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 4.1 tttm -86.82 -37.84 17.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.769 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.66 -56.0 26.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.817 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.9 mp -64.2 -51.19 64.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.745 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -56.17 -31.08 63.06 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.546 179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.441 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 4.5 mm-40 -66.33 -44.21 83.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.419 179.522 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.4 ' O ' ' CE1' ' A' ' 78' ' ' HIS . . . -77.49 -25.22 50.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.055 179.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.516 ' HA2' HG21 ' A' ' 43' ' ' ILE . . . -57.05 -59.22 11.27 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.498 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -174.19 58.29 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.919 0.39 . . . . 0.0 111.217 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.441 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -95.77 177.95 5.61 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.947 179.872 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.478 HD13 ' N ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER -56.42 117.82 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.421 -179.828 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.8 t30 54.93 104.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.363 179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.4 ' CE1' ' O ' ' A' ' 72' ' ' ALA . 23.0 t-80 -142.21 77.84 1.6 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 179.649 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 4.1 t -177.31 37.71 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.968 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.497 HG23 ' H ' ' A' ' 82' ' ' LYS . 2.1 t -111.12 -17.32 13.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.163 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 tp 66.96 18.46 10.6 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.475 -0.329 . . . . 0.0 111.157 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.497 ' H ' HG23 ' A' ' 80' ' ' THR . 14.8 mmtt -78.88 -55.62 5.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.771 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 pt -55.49 -33.62 32.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.781 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 6.5 tt -69.31 -36.52 77.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.125 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.67 -13.97 60.34 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.626 179.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.51 -29.75 7.26 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.851 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.457 ' CD2' ' N ' ' A' ' 88' ' ' LEU . 3.8 p-80 -111.89 -33.53 6.27 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.757 0.313 . . . . 0.0 111.089 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.457 ' N ' ' CD2' ' A' ' 87' ' ' HIS . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.946 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.352 0 CA-C-O 120.781 0.324 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 3.1 t80 61.37 105.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.882 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.636 HG23 ' N ' ' A' ' 4' ' ' ALA . 0.3 OUTLIER 48.54 -175.9 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.529 0.17 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.624 179.821 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . 0.636 ' N ' HG23 ' A' ' 3' ' ' ILE . . . -148.83 81.89 1.44 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.119 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 63.1 p -101.81 81.88 2.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -97.17 127.7 43.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.922 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.542 ' NZ ' ' HB1' ' A' ' 41' ' ' ALA . 17.7 tptt -107.63 110.88 22.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -108.94 168.2 13.31 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.676 -0.774 . . . . 0.0 112.435 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 12.5 tt -154.65 131.32 2.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.279 -179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.513 ' CZ ' ' HB2' ' A' ' 17' ' ' GLU . 3.5 m-85 -104.15 138.89 39.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.639 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.706 ' C ' HD23 ' A' ' 12' ' ' LEU . 0.6 OUTLIER -108.72 105.73 15.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.985 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.706 HD23 ' C ' ' A' ' 11' ' ' THR . 1.0 OUTLIER 49.24 132.62 0.0 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.526 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -39.1 -31.65 0.08 Allowed 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 115.826 -0.624 . . . . 0.0 111.673 -179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.55 ' O ' ' HD3' ' A' ' 16' ' ' PRO . 3.1 t70 -55.55 -40.31 71.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.173 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.54 95.91 4.8 Favored Pre-proline 0 CA--C 1.531 0.22 0 CA-C-N 116.511 -0.313 . . . . 0.0 111.15 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.55 ' HD3' ' O ' ' A' ' 14' ' ' ASP . 65.1 Cg_endo -86.63 69.62 4.24 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.686 2.257 . . . . 0.0 112.501 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.513 ' HB2' ' CZ ' ' A' ' 10' ' ' PHE . 4.5 tp10 64.95 -65.91 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.054 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' PRO . 38.2 tt0 -165.75 -25.96 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.678 0.621 . . . . 0.0 112.678 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 -150.56 -84.77 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 111.889 0.329 . . . . 0.0 111.889 -179.485 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.0 mmp_? -72.22 129.3 87.8 Favored Pre-proline 0 C--N 1.331 -0.231 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.675 -179.139 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 70.8 Cg_endo -87.73 116.35 1.08 Allowed 'Trans proline' 0 N--CA 1.46 -0.466 0 C-N-CA 122.924 2.416 . . . . 0.0 112.158 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.477 ' O ' ' CD2' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -100.15 -70.16 0.74 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.482 -0.326 . . . . 0.0 111.127 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.637 HG21 HG21 ' A' ' 40' ' ' ILE . 12.3 p -53.1 -19.62 2.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.793 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -44.29 -36.61 2.84 Favored 'General case' 0 C--N 1.332 -0.188 0 N-CA-C 112.053 0.39 . . . . 0.0 112.053 -179.57 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.477 ' CD2' ' O ' ' A' ' 22' ' ' PHE . 6.8 p90 -65.23 -33.67 76.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.674 0.273 . . . . 0.0 110.947 -179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.464 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -71.78 -30.29 65.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.96 0.409 . . . . 0.0 110.264 179.505 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -73.11 -26.93 61.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.645 179.506 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.54 25.05 5.73 Favored Glycine 0 N--CA 1.449 -0.436 0 C-N-CA 120.663 -0.78 . . . . 0.0 112.617 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 2.2 pp -61.66 -17.47 55.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.691 0.281 . . . . 0.0 111.207 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -142.69 39.99 1.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.019 0.438 . . . . 0.0 111.043 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 54.27 42.09 31.66 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.863 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HD3' HD11 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -79.11 142.39 36.47 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.903 -179.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.813 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -115.78 110.61 19.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.796 -179.968 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.813 HD13 ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -119.81 151.44 38.82 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.877 -179.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.97 -168.74 1.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.39 80.15 0.1 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.799 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -170.19 -37.56 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.051 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -48.8 95.69 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.427 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -108.73 125.65 52.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.633 179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.679 HD12 ' CE1' ' A' ' 55' ' ' PHE . 3.4 mm -108.48 163.52 5.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.215 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.542 ' HB1' ' NZ ' ' A' ' 7' ' ' LYS . . . -136.2 119.27 16.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.04 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 28.0 mt -102.3 125.56 56.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.215 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.681 HG22 ' CD1' ' A' ' 45' ' ' ILE . 37.6 mt -128.57 137.82 56.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.964 179.806 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -137.81 129.1 27.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.681 ' CD1' HG22 ' A' ' 43' ' ' ILE . 4.8 mp -145.53 73.01 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.567 179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.35 -81.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.613 -179.572 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 41.3 37.96 1.8 Allowed Glycine 0 C--N 1.334 0.425 0 C-N-CA 121.232 -0.509 . . . . 0.0 112.907 179.789 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER 63.3 43.51 6.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.959 0.409 . . . . 0.0 110.525 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 68.59 66.4 0.31 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.818 -179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 53.6 p -161.1 -174.56 4.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -153.83 144.57 22.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.812 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 71.7 m-70 -90.78 159.89 16.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 20.9 t -137.45 141.48 39.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.964 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.51 HD13 ' N ' ' A' ' 55' ' ' PHE . 0.3 OUTLIER -137.75 130.79 30.33 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.837 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.679 ' CE1' HD12 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -92.84 112.42 24.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.506 HD11 ' HB2' ' A' ' 41' ' ' ALA . 0.9 OUTLIER -91.11 86.37 6.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.816 -179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -75.36 -30.15 60.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.98 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.82 93.72 2.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.49 ' CZ ' ' HB ' ' A' ' 65' ' ' ILE . 6.1 t80 -105.04 91.89 3.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.032 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.709 ' O ' HG21 ' A' ' 65' ' ' ILE . 0.7 OUTLIER -123.44 -178.08 3.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.78 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.8 p 60.69 -179.11 0.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.914 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.418 ' HA ' ' CG1' ' A' ' 65' ' ' ILE . 5.9 m -146.53 178.67 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.185 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 17.3 t0 74.7 -57.22 0.62 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.498 179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -80.83 -40.3 25.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.857 0.361 . . . . 0.0 110.949 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.709 HG21 ' O ' ' A' ' 60' ' ' ASN . 2.5 pp -61.18 -32.17 52.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.087 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 16.3 ttp180 -75.82 -43.67 44.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.004 179.856 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 12.3 mtmt -74.41 -37.2 63.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.53 -40.81 92.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.805 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.417 HD12 ' HA ' ' A' ' 69' ' ' LEU . 4.0 tp -71.86 -44.26 64.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.737 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -55.71 -38.22 69.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.738 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.438 ' O ' ' CB ' ' A' ' 75' ' ' LYS . 3.7 tt0 -68.17 -43.02 79.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.742 179.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' HB1' ' HE2' ' A' ' 78' ' ' HIS . . . -85.19 10.03 13.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.35 179.742 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.644 ' O ' HD13 ' A' ' 45' ' ' ILE . . . -97.95 -59.08 0.96 Allowed Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.731 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -126.16 -2.76 6.98 Favored 'General case' 0 C--N 1.332 -0.161 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -179.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 71' ' ' GLU . 0.2 OUTLIER -77.67 -157.19 0.09 Allowed 'General case' 0 C--N 1.332 -0.17 0 C-N-CA 121.119 -0.233 . . . . 0.0 110.616 179.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.507 HG22 ' N ' ' A' ' 77' ' ' ASN . 3.0 mt -44.62 159.15 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.528 0.112 0 CA-C-O 120.772 0.32 . . . . 0.0 111.373 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.507 ' N ' HG22 ' A' ' 76' ' ' ILE . 36.0 m-80 -78.87 56.64 1.96 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.283 -179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.467 ' HE2' ' HB1' ' A' ' 72' ' ' ALA . 23.9 m170 45.01 29.65 0.49 Allowed 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.533 179.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.662 HG23 ' N ' ' A' ' 80' ' ' THR . 0.6 OUTLIER 45.38 -166.03 0.01 OUTLIER 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.989 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.662 ' N ' HG23 ' A' ' 79' ' ' THR . 10.1 t -69.54 62.8 0.16 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.8 0.333 . . . . 0.0 111.4 -179.7 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.915 HD23 HD13 ' A' ' 84' ' ' LEU . 3.8 mt 44.63 27.77 0.27 Allowed 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.942 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.05 -42.01 27.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.839 0.352 . . . . 0.0 110.819 179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 84' ' ' LEU . 12.0 tt -57.9 -41.21 79.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.701 179.631 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.915 HD13 HD23 ' A' ' 81' ' ' LEU . 4.6 mp -63.41 -43.34 97.77 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.093 179.352 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.3 mt-10 -66.75 -19.69 65.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.502 179.265 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -83.8 -32.78 23.29 Favored Glycine 0 N--CA 1.449 -0.482 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.691 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 13.9 p80 -171.19 68.43 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.857 0.361 . . . . 0.0 111.321 -179.841 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.463 HD21 HD11 ' A' ' 54' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.249 1.075 0 CA-C-O 118.182 -0.913 . . . . 0.0 110.985 179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.418 HD22 ' HA ' ' A' ' 1' ' ' LEU . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.867 0.365 . . . . 0.0 111.155 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.453 ' CD2' ' CD1' ' A' ' 3' ' ' ILE . 0.2 OUTLIER -168.49 150.09 4.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.802 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.581 ' N ' HD12 ' A' ' 3' ' ' ILE . 1.8 mp 62.2 112.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.757 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -126.08 97.42 5.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.031 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -69.89 144.26 52.53 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -105.38 140.13 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . 0.608 ' HA ' HG22 ' A' ' 43' ' ' ILE . 6.8 mtpt -148.74 136.97 21.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -154.89 136.61 5.24 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.575 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.5 mp -88.06 105.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.857 0.36 . . . . 0.0 111.05 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.784 ' HB3' HD13 ' A' ' 15' ' ' LEU . 3.3 m-85 -100.06 137.37 38.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.77 -179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.507 ' O ' ' N ' ' A' ' 14' ' ' ASP . 3.1 p -103.49 114.99 29.68 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.895 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.887 HD13 ' CB ' ' A' ' 38' ' ' ASP . 9.0 tp -2.4 -79.01 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 N-CA-C 113.596 0.962 . . . . 0.0 113.596 -179.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.454 ' NZ ' ' HB1' ' A' ' 27' ' ' ALA . 0.0 OUTLIER -72.54 -43.98 62.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.358 -179.104 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.507 ' N ' ' O ' ' A' ' 11' ' ' THR . 12.2 m-20 -91.5 38.42 0.98 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.223 179.805 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.059 HD12 HG13 ' A' ' 23' ' ' VAL . 0.2 OUTLIER -47.07 -62.6 1.89 Allowed Pre-proline 0 CA--C 1.53 0.206 0 CA-C-N 116.501 -0.318 . . . . 0.0 110.943 179.84 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.456 ' HB3' ' HA ' ' A' ' 21' ' ' PRO . 90.0 Cg_endo -78.18 50.7 3.42 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.758 2.305 . . . . 0.0 113.159 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -40.38 -31.57 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.879 -0.601 . . . . 0.0 111.235 179.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.447 ' HB3' ' CE1' ' A' ' 19' ' ' PHE . 26.4 mt-10 -65.56 -68.72 0.34 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.829 179.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.464 ' CD1' ' N ' ' A' ' 19' ' ' PHE . 0.0 OUTLIER -170.89 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.576 179.831 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.434 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 12.7 tpt85 -53.78 130.32 56.25 Favored Pre-proline 0 CA--C 1.531 0.239 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.805 -179.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.456 ' HA ' ' HB3' ' A' ' 16' ' ' PRO . 31.9 Cg_endo -93.15 108.94 0.19 Allowed 'Trans proline' 0 N--CA 1.456 -0.728 0 C-N-CA 123.282 2.655 . . . . 0.0 112.67 179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -100.45 -81.91 0.46 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.257 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 1.059 HG13 HD12 ' A' ' 15' ' ' LEU . 3.1 p -72.06 -7.72 9.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.578 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.406 ' HB3' ' HD3' ' A' ' 16' ' ' PRO . 1.3 p-10 -51.14 -28.16 10.25 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.905 0.383 . . . . 0.0 110.006 179.169 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.412 ' CD1' ' HA ' ' A' ' 23' ' ' VAL . 5.3 p90 -54.09 -37.71 64.54 Favored 'General case' 0 N--CA 1.455 -0.205 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.014 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.06 -44.53 67.52 Favored 'General case' 0 C--N 1.334 -0.09 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.332 179.222 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.454 ' HB1' ' NZ ' ' A' ' 13' ' ' LYS . . . -60.03 -27.68 67.12 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 121.074 0.464 . . . . 0.0 109.963 178.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -120.63 32.34 4.87 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.651 -0.704 . . . . 0.0 112.107 179.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.661 ' O ' HD23 ' A' ' 29' ' ' LEU . 1.3 tt -71.73 52.76 0.22 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.953 0.406 . . . . 0.0 110.97 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.449 ' CB ' ' O ' ' A' ' 29' ' ' LEU . 0.2 OUTLIER 85.26 62.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.677 -0.692 . . . . 0.0 111.305 179.793 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 13.9 tptp 61.23 45.95 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.093 179.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.5 tptm -65.52 -66.04 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.538 179.665 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.515 ' C ' HD13 ' A' ' 34' ' ' LEU . 3.4 tptp -176.87 122.87 0.14 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.581 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.624 ' H ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -107.48 42.48 1.32 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.106 0.479 . . . . 0.0 110.89 -179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.494 ' O ' ' N ' ' A' ' 37' ' ' ASP . 31.4 t -100.41 94.84 6.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.512 179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -53.77 83.45 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.937 0.399 . . . . 0.0 110.968 -179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.494 ' N ' ' O ' ' A' ' 35' ' ' SER . 3.6 m-20 -170.26 -38.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.914 -179.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.887 ' CB ' HD13 ' A' ' 12' ' ' LEU . 0.2 OUTLIER -45.7 140.11 3.63 Favored 'General case' 0 N--CA 1.462 0.173 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.182 -179.821 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.422 ' HG2' HD12 ' A' ' 56' ' ' LEU . 0.5 OUTLIER -100.33 133.45 44.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.282 -179.644 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.527 HD12 HD21 ' A' ' 15' ' ' LEU . 33.6 mt -147.96 125.94 3.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.823 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -125.04 142.38 51.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.918 0.39 . . . . 0.0 111.424 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.797 HG13 HG23 ' A' ' 53' ' ' VAL . 4.1 mp -122.93 134.84 64.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.787 179.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.608 HG22 ' HA ' ' A' ' 7' ' ' LYS . 33.0 pt -139.11 155.83 27.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.914 0.388 . . . . 0.0 111.546 -179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.3 t -119.52 165.44 14.4 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.477 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.529 HG21 ' O ' ' A' ' 73' ' ' GLY . 9.9 pt -149.6 41.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.808 0.337 . . . . 0.0 111.554 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 52.61 25.44 3.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.136 179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' C ' HG23 ' A' ' 48' ' ' THR . . . -67.83 73.39 0.26 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.316 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.43 ' OG1' ' N ' ' A' ' 49' ' ' GLN . 1.7 p 69.21 -63.25 0.38 Allowed 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.647 0.261 . . . . 0.0 110.758 -179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . 0.43 ' N ' ' OG1' ' A' ' 48' ' ' THR . 1.4 tt0 179.24 59.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 110.868 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 52.6 p -169.87 -174.46 1.82 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -147.58 165.23 31.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 17.1 m80 -113.87 135.01 54.44 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.797 HG23 HG13 ' A' ' 42' ' ' ILE . 12.2 p -100.54 128.26 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.111 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.8 mt -126.28 133.59 51.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.92 133.26 35.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.639 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.422 HD12 ' HG2' ' A' ' 39' ' ' GLU . 14.9 mt -92.57 79.54 4.86 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.947 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -75.35 -75.11 0.18 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.874 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -77.77 76.02 4.31 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.957 ' CD2' HD12 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -126.79 94.93 4.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.926 179.917 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.9 m-80 -137.17 -62.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.959 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 96.4 p -88.32 132.11 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.994 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 6.2 m -61.3 179.81 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.181 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.13 -66.51 0.25 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.077 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -63.18 -28.87 70.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.928 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.957 HD12 ' CD2' ' A' ' 59' ' ' TYR . 26.4 pt -95.99 -38.8 8.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.098 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.3 ttt180 -60.81 -49.1 78.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.936 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 16.8 mttm -66.0 -31.89 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -60.18 -48.55 81.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.807 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.7 tp -65.44 -50.73 64.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.959 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -54.25 -33.43 58.48 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.974 0.416 . . . . 0.0 110.544 179.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.416 ' HA ' ' HB2' ' A' ' 75' ' ' LYS . 17.3 mt-10 -62.96 -43.25 99.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.345 179.417 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.28 -20.33 51.78 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.067 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.529 ' O ' HG21 ' A' ' 45' ' ' ILE . . . -60.32 -65.62 3.24 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.65 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -155.39 50.2 0.56 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.948 0.404 . . . . 0.0 111.484 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HB2' ' HA ' ' A' ' 71' ' ' GLU . 0.0 OUTLIER -100.02 159.08 15.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.917 179.862 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.505 ' H ' HD12 ' A' ' 76' ' ' ILE . 3.3 mp -56.09 129.84 18.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.242 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.77 96.29 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 17.3 t-160 -101.94 -31.46 10.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.676 ' O ' ' N ' ' A' ' 81' ' ' LEU . 0.1 OUTLIER -58.03 -82.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.709 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 79' ' ' THR . 0.1 OUTLIER 50.18 -65.21 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.168 0 C-N-CA 123.317 0.647 . . . . 0.0 112.284 179.745 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.676 ' N ' ' O ' ' A' ' 79' ' ' THR . 0.3 OUTLIER 80.17 -11.3 1.17 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.906 0.384 . . . . 0.0 110.145 -178.762 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.72 -53.41 6.54 Favored 'General case' 0 CA--C 1.522 -0.122 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.232 179.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 pp -59.1 -34.24 52.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.013 0.435 . . . . 0.0 110.263 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 3.9 tp -66.49 -36.52 82.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.153 179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -67.68 -28.08 67.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.623 179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -111.4 13.65 28.02 Favored Glycine 0 C--N 1.331 0.279 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.828 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -113.34 -35.66 5.24 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.797 0.332 . . . . 0.0 110.803 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.407 HD13 ' HA ' ' A' ' 88' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.249 1.057 0 CA-C-O 118.2 -0.905 . . . . 0.0 110.872 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.69 0.281 . . . . 0.0 111.268 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 54.5 m-85 -133.18 16.36 4.13 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.291 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 4.0 mt 52.6 85.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-O 120.776 0.322 . . . . 0.0 111.302 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -88.41 107.65 18.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.113 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 72.4 p -78.51 108.69 12.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 102.74 1.94 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.93 -179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 2.0 tttp -98.46 118.67 35.66 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.788 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -115.47 112.89 2.77 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.66 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.9 mt -90.29 78.74 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.973 0.416 . . . . 0.0 111.132 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.648 ' CE2' HD12 ' A' ' 42' ' ' ILE . 6.7 m-30 -94.19 87.67 5.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.85 -0.614 . . . . 0.0 110.2 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.469 ' O ' ' HG ' ' A' ' 12' ' ' LEU . 1.7 t -106.18 158.24 16.98 Favored 'General case' 0 CA--C 1.514 -0.425 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.52 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 11' ' ' THR . 0.6 OUTLIER 39.49 -166.49 0.0 OUTLIER 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.807 -179.849 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.532 ' NZ ' HD23 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -57.86 -22.66 49.18 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.822 -179.682 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.486 ' C ' ' HD2' ' A' ' 16' ' ' PRO . 8.2 t70 -86.63 16.12 4.99 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.305 178.754 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 16' ' ' PRO . 3.9 pp -70.41 -24.22 0.75 Allowed Pre-proline 0 CA--C 1.536 0.416 0 N-CA-C 112.866 0.691 . . . . 0.0 112.866 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.747 ' N ' HD12 ' A' ' 15' ' ' LEU . 76.6 Cg_exo -54.39 59.75 0.03 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 122.483 2.122 . . . . 0.0 113.878 -178.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 15' ' ' LEU . 2.8 tp10 31.28 36.13 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.371 0 C-N-CA 123.136 0.574 . . . . 0.0 112.446 179.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' PRO . 2.6 tm-20 46.9 27.77 0.76 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.301 179.784 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 55.7 m-85 -159.0 -79.63 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.808 0.337 . . . . 0.0 111.145 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -116.35 126.38 27.65 Favored Pre-proline 0 CA--C 1.53 0.188 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.005 -179.716 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.429 ' CA ' ' HB3' ' A' ' 16' ' ' PRO . 18.4 Cg_exo -66.12 112.47 2.3 Favored 'Trans proline' 0 C--N 1.347 0.49 0 C-N-CA 122.569 2.18 . . . . 0.0 112.635 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -100.03 -67.38 0.86 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.418 179.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.805 HG13 HD11 ' A' ' 42' ' ' ILE . 13.5 m -81.28 -3.63 6.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.179 179.314 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -58.59 -24.37 60.74 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.801 179.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.489 ' CD1' ' N ' ' A' ' 26' ' ' LYS . 1.7 p90 -65.26 -37.85 88.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.491 179.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.489 ' N ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -64.25 -26.21 68.4 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.482 179.509 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.42 -30.07 66.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.969 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -125.61 27.25 5.26 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.622 -0.799 . . . . 0.0 112.685 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.85 HD13 ' O ' ' A' ' 29' ' ' LEU . 3.3 tm? -80.07 -18.72 49.27 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.727 0.299 . . . . 0.0 111.261 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.441 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 1.2 tt0 -149.35 39.1 0.81 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.146 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER 44.08 38.13 2.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.826 -179.935 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.549 ' HD2' HD12 ' A' ' 34' ' ' LEU . 1.1 tmtp? -51.09 -26.14 6.04 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.148 -0.933 . . . . 0.0 111.245 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.713 ' C ' HD13 ' A' ' 34' ' ' LEU . 0.5 OUTLIER 63.21 123.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.116 179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.713 HD13 ' C ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -156.68 149.44 23.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.666 179.896 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 t -100.2 -81.92 0.46 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.067 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -142.79 18.68 1.99 Allowed 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.222 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.99 -18.94 16.06 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.988 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -57.31 88.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.827 0.346 . . . . 0.0 111.005 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.709 ' HB3' HD12 ' A' ' 56' ' ' LEU . 4.2 tt0 -98.51 121.18 40.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.866 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.462 HG21 HG21 ' A' ' 23' ' ' VAL . 11.2 mm -119.5 150.66 21.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.083 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -151.7 113.22 4.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.056 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.805 HD11 HG13 ' A' ' 23' ' ' VAL . 15.1 mt -98.42 112.52 30.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.028 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 35.3 mt -105.14 134.09 47.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.805 179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . 0.456 ' HB3' ' HA ' ' A' ' 51' ' ' ASN . 0.0 OUTLIER -153.82 125.13 7.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.243 -179.724 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . 0.605 HD11 ' O ' ' A' ' 73' ' ' GLY . 3.7 mp -81.58 -29.32 10.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.257 179.267 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.1 mmtm -129.88 -175.07 3.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.104 179.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -119.76 -23.27 3.11 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.588 -0.815 . . . . 0.0 112.784 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.9 t -103.5 -27.39 12.4 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.789 0.328 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -102.98 -71.87 0.71 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.098 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.04 141.33 40.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.947 0.403 . . . . 0.0 111.181 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.456 ' HA ' ' HB3' ' A' ' 44' ' ' SER . 8.8 t-20 -179.96 75.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.46 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 43.5 p-80 -118.39 154.75 31.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.964 0.411 . . . . 0.0 111.49 -179.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.445 ' O ' HG13 ' A' ' 53' ' ' VAL . 7.1 p -130.36 121.85 52.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.808 179.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 8.9 mt -100.21 155.31 17.83 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.978 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.7 t80 -113.56 140.26 48.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.788 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.709 HD12 ' HB3' ' A' ' 39' ' ' GLU . 0.1 OUTLIER -145.79 132.18 19.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.884 179.869 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 46.6 t -88.54 -55.71 3.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.59 148.47 50.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.855 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.544 ' CE2' HD13 ' A' ' 65' ' ' ILE . 10.2 t80 -137.8 139.18 39.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.444 ' ND2' HG13 ' A' ' 62' ' ' VAL . 4.8 p-10 -142.08 -171.82 3.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.639 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 20.6 p -103.62 109.82 21.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.814 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.688 ' CG2' HG23 ' A' ' 65' ' ' ILE . 0.9 OUTLIER -151.04 19.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.657 179.956 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 69.17 -58.11 0.51 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.723 0.297 . . . . 0.0 111.644 179.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 23.2 pt-20 -58.17 -41.98 85.02 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.966 0.413 . . . . 0.0 110.686 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.786 HD12 ' N ' ' A' ' 66' ' ' ARG . 2.1 pp -52.06 -46.01 42.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.086 179.642 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.786 ' N ' HD12 ' A' ' 65' ' ' ILE . 5.7 ptm180 -81.82 -36.3 28.51 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.885 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 9.1 tttm -59.54 -35.66 74.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -75.48 -44.05 46.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.806 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 7.4 tp -61.25 -53.97 50.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -57.36 -36.42 71.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.816 179.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -78.46 -29.24 46.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.897 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -60.43 -30.27 69.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.94 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . 0.605 ' O ' HD11 ' A' ' 45' ' ' ILE . . . -90.19 -31.29 10.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.816 -0.707 . . . . 0.0 112.537 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -133.68 54.45 1.95 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 121.031 0.443 . . . . 0.0 111.094 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.43 -169.36 0.21 Allowed 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.996 -179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 3.0 mt -84.9 -61.86 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.233 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 9.8 m120 -105.95 -25.82 11.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.043 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER 64.52 -176.88 0.17 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.932 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 t 43.24 92.53 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.462 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.513 HG21 ' CD1' ' A' ' 83' ' ' ILE . 0.0 OUTLIER -122.3 -56.26 1.82 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.67 179.873 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.493 ' HB2' ' O ' ' A' ' 80' ' ' THR . 11.3 mt 71.73 -42.62 0.54 Allowed 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.936 179.7 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -54.06 -44.56 71.2 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.592 0.234 . . . . 0.0 111.359 -179.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.513 ' CD1' HG21 ' A' ' 80' ' ' THR . 10.5 pt -61.3 -35.14 64.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.882 0.373 . . . . 0.0 110.602 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 1.2 tp -66.0 -34.45 78.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.301 179.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.56 -24.16 64.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.509 179.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -80.11 -31.74 37.82 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.693 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -132.05 34.58 3.8 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.763 0.316 . . . . 0.0 111.349 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.971 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.591 HD22 ' N ' ' A' ' 1' ' ' LEU . 1.8 mm? . . . . . 0 N--CA 1.486 1.366 0 CA-C-O 120.829 0.347 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -58.16 169.39 0.83 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.144 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 32.8 mt -72.99 124.82 30.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.066 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -105.55 108.38 19.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -95.0 167.85 11.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.956 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -143.61 90.72 2.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 16.9 mtpt -112.11 154.08 26.0 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -167.33 164.83 38.2 Favored Glycine 0 C--N 1.33 0.244 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.641 ' N ' HD12 ' A' ' 9' ' ' ILE . 3.3 mp -115.56 111.59 36.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.906 0.384 . . . . 0.0 111.124 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 15' ' ' LEU . 3.4 m-30 -109.52 111.32 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.813 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.421 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 0.7 OUTLIER -76.54 133.69 39.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.348 179.578 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.749 HD22 HG13 ' A' ' 40' ' ' ILE . 2.0 mm? -45.08 -31.53 1.41 Allowed 'General case' 0 N--CA 1.464 0.267 0 CA-C-O 120.688 0.28 . . . . 0.0 111.583 -179.488 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.459 ' CE ' ' HB3' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -81.05 -66.49 0.88 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.655 179.916 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -95.29 48.28 1.16 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.062 0.458 . . . . 0.0 110.241 179.485 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.791 HD12 ' HA ' ' A' ' 24' ' ' ASP . 46.5 mt -50.52 -47.57 83.81 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.549 -179.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PRO . . . . . 0.547 ' HD3' ' HB2' ' A' ' 15' ' ' LEU . 8.2 Cg_endo -89.26 47.76 1.08 Allowed 'Trans proline' 0 N--CA 1.455 -0.779 0 C-N-CA 122.814 2.343 . . . . 0.0 112.608 -179.517 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 16' ' ' PRO . 1.9 tt0 -16.65 -53.16 0.01 OUTLIER 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.988 0.805 . . . . 0.0 112.145 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.609 ' O ' ' CG ' ' A' ' 19' ' ' PHE . 2.1 mm-40 -77.52 -68.12 0.65 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.722 179.35 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.609 ' CG ' ' O ' ' A' ' 18' ' ' GLU . 94.7 m-85 -168.62 -63.22 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.123 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -40.72 100.6 0.22 Allowed Pre-proline 0 N--CA 1.466 0.367 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.476 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -87.1 99.35 0.5 Allowed 'Trans proline' 0 C--N 1.347 0.461 0 C-N-CA 122.937 2.425 . . . . 0.0 112.449 179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -100.22 -72.11 0.68 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.115 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.723 HG23 HD13 ' A' ' 15' ' ' LEU . 3.7 m -65.74 -7.01 4.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.849 -179.776 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.791 ' HA ' HD12 ' A' ' 15' ' ' LEU . 17.6 p-10 -48.03 -28.91 3.08 Favored 'General case' 0 C--O 1.231 0.107 0 CA-C-O 121.043 0.449 . . . . 0.0 110.572 179.293 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.408 ' O ' ' N ' ' A' ' 29' ' ' LEU . 1.5 p90 -63.16 -30.19 71.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.751 -0.658 . . . . 0.0 110.642 179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -69.54 -31.03 68.99 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.469 179.63 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.68 ' HB2' HD12 ' A' ' 12' ' ' LEU . . . -76.6 -13.56 60.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.863 179.361 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.69 26.7 2.38 Favored Glycine 0 C--N 1.334 0.422 0 C-N-CA 120.404 -0.903 . . . . 0.0 112.802 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 25' ' ' TYR . 1.4 pt? -66.54 -14.2 62.0 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.74 0.305 . . . . 0.0 111.445 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -171.41 66.54 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.664 -179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 30' ' ' GLU . 1.8 pttp 51.47 37.49 19.51 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 121.322 0.582 . . . . 0.0 110.788 -179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.709 ' O ' HD22 ' A' ' 34' ' ' LEU . 41.3 tttt -99.45 28.82 4.34 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.221 -0.899 . . . . 0.0 110.917 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.442 ' C ' HD13 ' A' ' 34' ' ' LEU . 2.8 tttp -78.28 88.34 4.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.797 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.709 HD22 ' O ' ' A' ' 32' ' ' LYS . 0.2 OUTLIER -93.26 -173.74 3.33 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.141 -179.806 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -100.27 -173.09 2.34 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -59.62 90.64 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.818 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -161.85 -43.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.421 ' HB3' ' CG ' ' A' ' 12' ' ' LEU . 0.3 OUTLIER -82.68 157.42 23.35 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.902 -179.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.471 ' N ' HD23 ' A' ' 12' ' ' LEU . 17.0 mt-10 -149.52 169.64 20.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.749 HG13 HD22 ' A' ' 12' ' ' LEU . 19.8 mt -136.09 159.92 38.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.271 -179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.495 ' N ' HG22 ' A' ' 40' ' ' ILE . . . -128.37 113.14 15.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.797 179.725 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.498 ' H ' HD13 ' A' ' 42' ' ' ILE . 0.0 OUTLIER -106.74 135.5 44.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.252 -179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 22.2 mt -138.83 125.28 24.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.82 118.33 31.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ILE . . . . . . . . . . . . . 25.4 mm -81.07 -37.91 16.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 7.0 mttp -165.38 119.63 1.25 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.661 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -57.9 -29.1 61.48 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.605 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 41.3 m -83.24 -28.4 29.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.771 0.319 . . . . 0.0 111.024 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLN . . . . . . . . . . . . . 1.2 tp-100 -82.71 -67.45 0.78 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.889 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.15 165.33 1.47 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.885 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -114.57 168.54 9.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.89 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.491 ' CE1' ' CE1' ' A' ' 78' ' ' HIS . 37.4 m-70 -137.47 142.46 41.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.99 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 53' ' ' VAL . 11.8 p -134.34 121.93 38.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.052 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 68.5 mt -132.44 143.28 49.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.029 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -107.44 145.44 32.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.565 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.486 HD11 ' HB2' ' A' ' 41' ' ' ALA . 9.9 mt -106.23 119.94 40.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.957 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -74.02 -42.52 60.2 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.891 179.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -134.46 -82.17 0.44 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.888 179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 13.5 t80 49.7 94.03 0.01 OUTLIER 'General case' 0 C--O 1.232 0.154 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.173 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 4.3 p30 -148.48 98.79 2.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.126 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.644 ' O ' HG13 ' A' ' 62' ' ' VAL . 23.1 t 57.4 81.95 0.13 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.101 179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.644 HG13 ' O ' ' A' ' 61' ' ' SER . 1.8 m -162.81 119.48 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -68.82 -27.05 65.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.997 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.36 -58.07 9.86 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.975 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.44 HD12 HG21 ' A' ' 62' ' ' VAL . 29.7 mt -65.7 -35.88 76.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.995 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 1.6 ttt-85 -61.54 -37.82 85.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.795 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 3.4 ttmt -83.96 -31.09 25.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 tm-20 -68.56 -54.29 17.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 11.6 tp -60.5 -51.45 69.39 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.785 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -52.82 -28.74 24.11 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.586 179.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.421 ' HA ' ' CB ' ' A' ' 75' ' ' LYS . 2.5 mt-10 -67.67 -45.47 75.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.604 179.679 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -66.42 -15.25 63.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.287 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLY . . . . . . . . . . . . . . . -77.1 -67.26 1.69 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.815 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -115.33 -6.02 12.34 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 111.831 0.308 . . . . 0.0 111.831 -179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.421 ' CB ' ' HA ' ' A' ' 71' ' ' GLU . 0.8 OUTLIER -100.01 -145.52 0.34 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.654 -0.248 . . . . 0.0 110.587 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 23.6 mt -40.0 134.39 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.257 0 CA-C-O 120.834 0.35 . . . . 0.0 111.562 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 16.4 m120 -55.58 177.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.093 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.494 ' O ' HG23 ' A' ' 83' ' ' ILE . 11.7 m80 -81.11 -24.6 37.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.986 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 5.1 p 59.02 54.4 5.02 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.988 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 4.9 p 57.79 -164.27 0.18 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.084 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 35.4 mt -73.62 -4.79 36.4 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.474 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -48.61 -31.7 7.06 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.712 0.291 . . . . 0.0 111.208 -179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.494 HG23 ' O ' ' A' ' 78' ' ' HIS . 6.0 pt -63.87 -33.68 63.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.843 0.354 . . . . 0.0 110.747 179.754 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.46 HD12 HG13 ' A' ' 83' ' ' ILE . 4.0 mp -66.08 -40.64 90.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.172 179.451 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.44 -25.31 67.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.342 179.238 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.28 -35.72 47.46 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.845 -0.693 . . . . 0.0 112.516 179.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -177.14 76.69 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.789 0.328 . . . . 0.0 111.12 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.484 ' OXT' HD13 ' A' ' 88' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.219 -0.896 . . . . 0.0 110.952 179.872 . . . . . . . . 2 2 . 1 stop_ save_