data_1mq1_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 1mq1 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.783 0.325 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -60.17 -34.34 73.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.947 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.444 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 3.1 mp -60.37 -26.18 66.43 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.51 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.08 -37.4 22.1 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.359 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -81.97 -40.03 22.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.635 0.255 . . . . 0.0 110.524 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . . . -64.6 -37.33 87.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.838 0.351 . . . . 0.0 110.427 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.421 ' O ' HG13 ' A' ' 11' ' ' ILE . 5.0 mtt -60.0 -61.03 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.117 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.7 -22.93 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.079 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 6' ' ' ALA . . . -57.17 -41.62 79.6 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.247 0.546 . . . . 0.0 109.632 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 3.1 mt -68.99 -48.42 63.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.856 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.448 ' CD1' ' CE1' ' B' ' 85' ' ' HIS . 7.7 mt -53.69 -53.12 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.368 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.81 -41.05 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.328 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.36 -45.43 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.346 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -82.3 -35.28 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.774 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.445 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -70.41 -22.37 62.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -84.08 -46.71 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.364 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.439 ' CZ ' ' HG ' ' A' ' 35' ' ' LEU . 5.5 m-85 -82.78 -59.5 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -61.43 124.68 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.203 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.655 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.939 0.399 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.72 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 22.7 t-160 57.24 37.96 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.062 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.72 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -165.18 149.3 8.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.931 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.731 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 2.2 mp -137.47 132.48 33.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.954 0.407 . . . . 0.0 111.607 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -93.06 172.83 8.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.69 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 20.4 mttt -49.39 -28.78 5.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -83.21 -39.75 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.074 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.7 mm-40 -67.62 -45.09 76.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.524 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.22 -63.42 1.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -46.33 -65.14 0.6 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.68 -179.161 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -47.2 -46.37 23.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.21 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -58.54 -46.43 86.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.13 0.49 . . . . 0.0 110.581 179.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 40' ' ' LEU . 1.8 mt -59.61 -51.24 75.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.953 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.62 -14.93 63.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.167 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -88.13 -47.31 8.58 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.25 -38.41 12.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.484 0.183 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.499 ' O ' HG22 ' A' ' 52' ' ' VAL . 2.1 mt-10 -94.09 -176.64 4.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.617 0.246 . . . . 0.0 110.535 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -76.31 -40.51 51.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.886 0.374 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.97 -41.88 95.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.3 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 49' ' ' GLU . 18.2 m -60.8 -44.43 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.216 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 49' ' ' GLU . 1.5 t -51.73 -51.18 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.627 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -47.39 -45.48 25.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.999 0.428 . . . . 0.0 109.976 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.407 ' HB3' ' CD1' ' C' ' 10' ' ' ILE . 0.6 OUTLIER -71.39 -35.75 71.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.487 178.507 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' CZ ' ' A' ' 76' ' ' PHE . 98.1 t -59.12 -56.3 17.94 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.06 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.303 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -26.35 67.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.037 0.446 . . . . 0.0 109.957 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.32 -31.63 48.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.304 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.558 ' CG2' ' HB2' ' C' ' 8' ' ' ASN . 8.3 m -64.32 -20.66 66.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.946 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.453 ' CD1' ' CD1' ' A' ' 76' ' ' PHE . 1.2 mp -109.77 -9.82 14.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.458 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.95 102.09 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.899 0.38 . . . . 0.0 111.103 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -114.82 -35.11 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.726 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 -94.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.83 22.45 6.43 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.11 22.81 13.06 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.84 -53.27 0.81 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.943 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.731 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 1.8 pt-20 -148.64 -176.03 5.16 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 1.5 m -118.57 121.79 41.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 26' ' ' LYS . 30.1 p30 -93.88 -153.84 0.39 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.222 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.5 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.9 t80 -72.48 -34.91 68.02 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.661 0.267 . . . . 0.0 111.3 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.428 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -74.16 -25.49 59.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.827 -179.187 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.415 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 39.4 mm-40 -79.7 -39.81 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 111.252 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -77.97 -32.93 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.398 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -62.23 -42.84 99.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.01 62.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.028 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.453 ' CZ ' ' CG1' ' A' ' 56' ' ' VAL . 25.4 t80 -66.97 -70.73 0.23 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.823 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.516 ' O ' ' HB ' ' A' ' 81' ' ' THR . 1.1 p -48.6 -29.6 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.665 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.92 -46.06 13.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.952 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.88 -55.28 20.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.36 0.6 . . . . 0.0 110.102 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG1' ' CZ2' ' C' ' 7' ' ' TRP . 78.7 t -56.8 -37.45 53.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.923 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 77' ' ' VAL . 8.7 m -78.07 -65.2 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.432 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.3 m -44.19 -27.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.466 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' C' ' 5' ' ' ILE . . . -82.3 -66.45 0.89 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -52.25 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.455 ' CE1' ' CD1' ' B' ' 11' ' ' ILE . 0.1 OUTLIER -48.58 -21.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.474 . . . . 0.0 110.663 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.96 -64.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.56 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.69 -15.95 11.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.077 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.181 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.761 0.315 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.4 OUTLIER -60.1 -34.47 73.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.397 0.618 . . . . 0.0 110.96 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.44 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 3.0 mp -60.26 -26.17 66.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.447 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -84.09 -37.37 22.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.615 0.245 . . . . 0.0 111.369 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' B' ' 4' ' ' GLU . 0.1 OUTLIER -82.03 -39.9 22.84 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.551 179.636 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.456 ' HA ' ' HB3' ' B' ' 9' ' ' ALA . . . -64.68 -37.32 87.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.931 0.396 . . . . 0.0 110.492 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.421 ' O ' HG13 ' B' ' 11' ' ' ILE . 5.0 mtt -60.01 -60.96 2.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.201 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.67 -23.03 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' B' ' 6' ' ' ALA . . . -57.19 -41.5 79.44 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.248 0.547 . . . . 0.0 109.692 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.408 ' HB3' ' CZ ' ' B' ' 73' ' ' PHE . 3.1 mt -69.06 -48.36 63.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.899 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.455 ' CD1' ' CE1' ' A' ' 85' ' ' HIS . 7.8 mt -53.79 -53.06 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.376 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.85 -41.01 61.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.361 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.31 -45.45 85.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.371 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -82.25 -35.43 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.731 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.444 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.0 OUTLIER -70.27 -22.47 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -84.04 -46.62 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.996 0.427 . . . . 0.0 110.461 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.437 ' CE2' ' HG ' ' B' ' 35' ' ' LEU . 5.5 m-85 -82.95 -59.39 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -61.39 124.64 21.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.541 179.864 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 mttm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.01 0.433 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.716 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 22.7 t-160 57.13 38.03 28.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.067 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -165.17 149.32 8.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.931 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 2.2 mp -137.49 132.53 33.42 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 111.621 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -93.1 172.86 8.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.667 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 20.3 mttt -49.41 -28.85 5.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.277 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -83.09 -39.72 20.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.188 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.7 mm-40 -67.62 -45.11 76.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.489 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.19 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -46.38 -65.1 0.6 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.684 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -47.17 -46.46 23.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.138 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' B' ' 31' ' ' GLU . 0.3 OUTLIER -58.46 -46.46 86.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.153 0.501 . . . . 0.0 110.625 179.763 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.484 HG23 HD12 ' B' ' 36' ' ' ILE . 1.8 mt -59.54 -51.35 73.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.056 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.54 -14.88 63.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.183 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -88.09 -47.3 8.6 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.3 -38.42 12.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.21 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' B' ' 36' ' ' ILE . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.408 0.147 . . . . 0.0 111.178 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.501 ' O ' HG22 ' B' ' 52' ' ' VAL . 2.1 mt-10 -94.19 -176.64 4.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.694 0.283 . . . . 0.0 110.483 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -76.36 -40.52 50.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.96 -41.82 95.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.273 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 49' ' ' GLU . 18.3 m -60.69 -44.63 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.187 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' B' ' 49' ' ' GLU . 1.5 t -51.6 -51.24 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -47.44 -45.39 25.64 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.047 0.451 . . . . 0.0 110.022 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.406 ' HB3' ' CD1' ' D' ' 10' ' ' ILE . 0.6 OUTLIER -71.4 -35.83 71.15 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.443 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.455 ' CG1' ' CZ ' ' B' ' 76' ' ' PHE . 98.1 t -59.11 -56.2 18.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -26.28 67.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.998 0.428 . . . . 0.0 109.92 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.3 -31.69 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.293 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.56 ' CG2' ' HB2' ' D' ' 8' ' ' ASN . 8.3 m -64.21 -20.73 66.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.966 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.46 ' CD1' ' CD1' ' B' ' 76' ' ' PHE . 1.2 mp -109.77 -9.77 14.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.475 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.94 102.11 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -114.9 -35.07 4.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.709 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.37 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.975 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.79 22.48 6.44 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.0 23.01 13.21 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.97 -53.25 0.81 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.936 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.742 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 1.8 pt-20 -148.63 -175.99 5.15 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.68 0.24 . . . . 0.0 110.394 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' B' ' 27' ' ' LEU . 1.5 m -118.59 121.83 41.14 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.731 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.425 ' OD1' ' CG ' ' B' ' 71' ' ' GLN . 30.1 p30 -93.8 -153.85 0.38 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.222 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.505 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 4.9 t80 -72.5 -34.91 67.97 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.693 0.283 . . . . 0.0 111.315 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.425 ' CG ' ' OD1' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -74.19 -25.54 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.77 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -79.6 -39.86 30.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.235 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.505 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -77.94 -33.0 51.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.376 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.414 ' HG3' ' CZ ' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -62.18 -42.81 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 0.0 109.984 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.0 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.032 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.46 ' CD1' ' CD1' ' B' ' 60' ' ' LEU . 25.3 t80 -66.92 -70.76 0.23 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.813 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.515 ' O ' ' HB ' ' B' ' 81' ' ' THR . 1.1 p -48.7 -29.58 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.621 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.96 -45.95 13.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.929 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.93 -55.31 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.431 0.634 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.468 ' CG1' ' CZ2' ' D' ' 7' ' ' TRP . 79.4 t -56.73 -37.52 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.935 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.515 ' HB ' ' O ' ' B' ' 77' ' ' VAL . 8.7 m -78.02 -65.18 1.01 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.443 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.9 m -44.17 -27.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.531 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' D' ' 5' ' ' ILE . . . -82.36 -66.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 -52.11 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.448 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -48.69 -21.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.084 0.469 . . . . 0.0 110.569 179.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.9 -64.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.612 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.73 -15.95 11.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.159 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.755 0.312 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 51.0 m -98.59 -1.23 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.67 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.696 ' O ' ' CD1' ' C' ' 5' ' ' ILE . 2.2 tmtt? -85.95 -0.87 56.56 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.722 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.696 ' CD1' ' O ' ' C' ' 4' ' ' LYS . 2.2 pp 57.15 -14.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.354 1.061 . . . . 0.0 113.82 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' C' ' 4' ' ' LYS . 23.5 t0 69.09 -10.11 0.55 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 177.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.577 ' H ' HD11 ' C' ' 5' ' ' ILE . 6.9 m0 -50.89 -70.35 0.09 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.989 0.813 . . . . 0.0 109.567 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.615 ' O ' ' HA ' ' C' ' 12' ' ' SER . 0.6 OUTLIER 150.36 -93.43 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 177.633 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -97.29 -36.83 10.28 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -177.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.48 HG22 ' HG ' ' C' ' 11' ' ' LEU . 1.5 tp -52.76 -60.07 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 O-C-N 122.283 -0.26 . . . . 0.0 111.433 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' C' ' 5' ' ' ILE . 11.2 mt -93.39 -29.27 15.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.202 0.525 . . . . 0.0 109.9 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 7.4 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.825 0.345 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -58.52 -71.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.048 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 51.2 m -98.59 -1.11 41.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.551 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.687 ' O ' ' CD1' ' D' ' 5' ' ' ILE . 2.2 tmtt? -86.1 -0.86 56.65 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.607 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.687 ' CD1' ' O ' ' D' ' 4' ' ' LYS . 2.2 pp 57.22 -14.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.325 1.05 . . . . 0.0 113.747 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.558 ' H ' ' C ' ' D' ' 4' ' ' LYS . 23.5 t0 69.15 -10.1 0.55 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 177.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.579 ' H ' HD11 ' D' ' 5' ' ' ILE . 6.9 m0 -50.9 -70.28 0.09 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.085 0.857 . . . . 0.0 109.575 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.62 ' O ' ' HA ' ' D' ' 12' ' ' SER . 0.6 OUTLIER 150.38 -93.57 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 177.701 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -97.23 -36.79 10.32 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.491 HG22 ' HG ' ' D' ' 11' ' ' LEU . 1.6 tp -52.74 -60.08 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 122.405 -0.184 . . . . 0.0 111.467 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.518 ' HB2' ' CD1' ' D' ' 5' ' ' ILE . 11.2 mt -93.38 -29.32 15.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.195 0.521 . . . . 0.0 109.894 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.62 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 7.2 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.802 0.334 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -61.97 -35.93 79.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.194 0.521 . . . . 0.0 110.847 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -47.33 -44.47 23.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.567 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.71 -39.58 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.923 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -59.74 -49.14 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.96 -47.85 76.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -56.49 -49.81 73.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.7 t -78.78 -21.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.595 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.13 93.72 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.467 0.651 . . . . 0.0 109.276 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 5.4 mt -68.98 -48.49 62.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.746 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 70' ' ' PHE . 18.1 mt -63.88 -40.15 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -38.17 67.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.64 -55.96 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.74 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -72.65 -28.68 62.88 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.323 -179.393 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.495 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.4 t-80 -70.69 -20.72 62.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 111.204 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -41.56 16.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.626 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.519 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 1.8 m-85 -83.19 -56.99 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.38 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.4 p -49.6 -44.02 46.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.376 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.256 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.143 -179.813 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.897 0.38 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.418 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 2.3 t-160 -179.88 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.038 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.715 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.32 159.6 17.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.259 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.622 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 1.3 mm? -134.97 133.9 39.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.833 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.36 174.36 9.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.439 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -52.0 -27.87 14.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -82.96 -36.65 24.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -72.6 -64.13 1.02 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -48.26 -46.9 36.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.445 ' HD2' ' CG1' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -55.74 -38.8 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.936 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 3.1 mm-40 -62.7 -58.92 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.417 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.519 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 1.2 mm? -46.24 -35.52 5.3 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.022 0.439 . . . . 0.0 111.479 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -56.75 -63.72 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -71.22 -11.02 60.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.535 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.442 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 22.5 t30 -91.97 -18.95 22.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -147.64 50.01 1.07 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.407 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 72.6 mt . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 110.844 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.566 0.222 . . . . 0.0 111.522 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 52' ' ' VAL . 4.1 tt0 -166.94 173.01 9.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.913 0.387 . . . . 0.0 110.755 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.413 ' HA ' HG21 ' A' ' 53' ' ' VAL . 4.9 tt0 -73.67 -36.16 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.94 90.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.391 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.514 HG22 ' N ' ' A' ' 53' ' ' VAL . 34.4 m -63.22 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.349 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.514 ' N ' HG22 ' A' ' 52' ' ' VAL . 2.6 t -54.1 -56.73 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 120.693 0.282 . . . . 0.0 111.004 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.08 -40.0 44.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.025 0.44 . . . . 0.0 110.045 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.409 ' HB3' ' CG1' ' C' ' 10' ' ' ILE . 1.6 ttmm -73.84 -30.6 62.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.724 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 53' ' ' VAL . 93.3 t -65.0 -59.12 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.986 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -60.96 -28.41 68.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.022 0.439 . . . . 0.0 109.935 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.91 -31.71 51.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.366 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.571 HG21 ' HB2' ' C' ' 8' ' ' ASN . 35.0 m -76.67 -16.58 59.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.709 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CD1' ' CD1' ' A' ' 76' ' ' PHE . 12.4 mt -101.06 -9.61 21.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.353 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -38.83 99.28 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.0 0.429 . . . . 0.0 111.695 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 10.6 t-20 -72.95 -8.64 56.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.275 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER 80.18 30.01 0.24 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.913 0.387 . . . . 0.0 110.531 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.24 -36.65 8.74 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.441 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -173.24 37.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.4 18.13 42.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.656 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.622 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -139.63 -174.47 3.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 27' ' ' LEU . 34.8 m -109.43 118.58 37.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.715 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -101.17 -167.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.628 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -73.1 -12.61 60.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 111.212 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -82.48 -30.31 29.99 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 68' ' ' CYS . 2.7 pp20? -82.09 -35.66 28.4 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.63 -27.63 40.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.622 0.249 . . . . 0.0 110.918 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 34.4 mmm -69.38 -54.42 14.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.876 0.369 . . . . 0.0 110.119 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -64.03 -24.5 67.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.39 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.659 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 85.8 t80 -62.1 -74.9 0.08 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.158 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 81' ' ' THR . 4.0 m -44.78 -30.5 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.649 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.404 ' CB ' ' CB ' ' B' ' 78' ' ' ALA . . . -85.02 -34.3 22.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.102 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.659 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -82.78 -40.98 19.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 111.331 -179.355 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.597 ' N ' ' HG3' ' A' ' 79' ' ' MET . 60.1 t -70.32 -36.72 68.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 5.7 t -73.24 -47.49 42.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 6.3 p -53.18 -30.06 35.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.576 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.454 ' CB ' ' HA ' ' C' ' 5' ' ' ILE . . . -75.89 -69.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.0 -55.1 3.98 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.418 ' CB ' ' OG1' ' A' ' 81' ' ' THR . 3.2 t-160 -44.65 -27.45 0.49 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.159 0.504 . . . . 0.0 110.751 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 82' ' ' THR . 33.5 tp10 -45.08 -65.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.817 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.68 -27.15 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.789 0.328 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.6 OUTLIER -62.07 -35.94 80.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.216 0.531 . . . . 0.0 110.776 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.454 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 0.2 OUTLIER -47.36 -44.52 24.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.576 -179.701 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -39.58 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.959 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -59.79 -49.11 78.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -47.94 75.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -56.5 -49.77 73.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.075 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -78.83 -21.97 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.536 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -39.07 93.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.527 0.68 . . . . 0.0 109.357 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.431 ' HB3' ' HE1' ' B' ' 73' ' ' PHE . 5.4 mt -69.01 -48.58 62.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.708 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.456 HG12 ' CE2' ' B' ' 70' ' ' PHE . 18.1 mt -63.86 -40.06 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.82 -38.11 66.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.71 -55.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.787 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -72.53 -28.75 63.04 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.35 -179.486 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.498 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 6.4 t-80 -70.58 -20.84 62.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.222 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.45 -41.45 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.608 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.522 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 1.8 m-85 -83.15 -57.1 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.328 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.8 p -49.59 -44.0 46.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.324 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.235 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.069 -179.822 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.957 0.408 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.4 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 2.3 t-160 -179.92 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.009 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.7 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.29 159.59 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 -179.606 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.631 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 1.3 mm? -134.89 133.93 40.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.001 0.429 . . . . 0.0 110.783 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.38 174.26 9.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.434 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -51.9 -27.8 14.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -83.02 -36.74 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.68 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.56 -64.17 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.706 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -48.18 -46.92 35.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.441 ' HD2' ' CG1' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -55.73 -38.75 70.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.989 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.466 ' CB ' ' CE2' ' B' ' 17' ' ' TYR . 3.1 mm-40 -62.64 -58.99 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.358 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.522 ' CD1' ' CD1' ' B' ' 17' ' ' TYR . 1.2 mm? -46.28 -35.53 5.38 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 120.955 0.407 . . . . 0.0 111.463 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 1.0 OUTLIER -56.7 -63.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.16 -11.02 60.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.525 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.444 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 22.4 t30 -92.01 -18.92 22.96 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.263 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 35' ' ' LEU . 0.4 OUTLIER -147.75 50.04 1.06 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.358 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 72.4 mt . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 110.925 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.459 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 120.573 0.225 . . . . 0.0 111.52 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.404 ' O ' HG23 ' B' ' 52' ' ' VAL . 4.1 tt0 -166.91 173.0 9.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.814 0.34 . . . . 0.0 110.789 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.404 ' HA ' HG21 ' B' ' 53' ' ' VAL . 4.9 tt0 -73.61 -36.19 65.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.91 90.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.383 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.512 HG22 ' N ' ' B' ' 53' ' ' VAL . 34.3 m -63.25 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.384 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.512 ' N ' HG22 ' B' ' 52' ' ' VAL . 2.6 t -54.13 -56.67 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-O 120.655 0.264 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.03 -40.14 43.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 110.065 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.402 ' HB3' ' CG1' ' D' ' 10' ' ' ILE . 1.6 ttmm -73.74 -30.56 62.88 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.797 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.423 HG22 ' HA ' ' B' ' 53' ' ' VAL . 93.6 t -65.02 -59.12 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.998 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -61.09 -28.24 68.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.0 0.428 . . . . 0.0 109.942 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.96 -31.75 51.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.333 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.57 HG21 ' HB2' ' D' ' 8' ' ' ASN . 36.2 m -76.62 -16.55 59.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.732 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.477 ' CD1' ' CD1' ' B' ' 76' ' ' PHE . 12.2 mt -101.1 -9.7 21.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.304 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -38.73 99.21 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.981 0.419 . . . . 0.0 111.706 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' B' ' 63' ' ' ASP . 10.5 t-20 -72.82 -8.7 56.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.338 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' B' ' 62' ' ' ASN . 0.8 OUTLIER 80.07 30.17 0.25 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.986 0.422 . . . . 0.0 110.541 -179.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.36 -36.61 8.69 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.335 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -173.18 37.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.51 18.14 43.09 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.7 OUTLIER -139.68 -174.52 3.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.605 ' O ' ' N ' ' B' ' 27' ' ' LEU . 34.8 m -109.52 118.49 36.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.7 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -101.1 -167.75 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.631 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -73.13 -12.54 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 111.236 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -82.52 -30.39 29.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.929 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' B' ' 68' ' ' CYS . 2.7 pp20? -82.09 -35.59 28.45 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.631 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -79.61 -27.58 41.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.638 0.256 . . . . 0.0 110.994 -179.339 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.492 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 34.4 mmm -69.37 -54.47 14.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.877 0.37 . . . . 0.0 110.078 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -64.11 -24.41 67.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.382 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.659 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 85.8 t80 -62.23 -74.86 0.08 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.109 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.439 ' O ' ' CG2' ' B' ' 81' ' ' THR . 4.0 m -44.79 -30.51 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.404 ' CB ' ' CB ' ' A' ' 78' ' ' ALA . . . -84.94 -34.4 22.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.077 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.659 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 0.7 OUTLIER -82.71 -41.02 19.81 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.023 0.44 . . . . 0.0 111.289 -179.254 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.576 ' N ' ' HG3' ' B' ' 79' ' ' MET . 60.0 t -70.35 -36.73 68.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 77' ' ' VAL . 5.7 t -73.21 -47.41 43.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.799 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 6.3 p -53.29 -29.94 36.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.573 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -75.97 -69.64 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.04 -54.96 4.04 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.415 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 3.2 t-160 -44.7 -27.49 0.5 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.081 0.467 . . . . 0.0 110.683 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' B' ' 82' ' ' THR . 33.5 tp10 -45.08 -65.35 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.774 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.66 -27.15 6.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.037 179.818 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.742 0.306 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' THR . . . . . 0.406 ' O ' ' CD1' ' C' ' 5' ' ' ILE . 11.0 t -99.6 -9.51 23.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.52 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.559 ' O ' HG12 ' C' ' 5' ' ' ILE . 0.8 OUTLIER -81.34 -2.03 47.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.73 0.3 . . . . 0.0 111.029 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.578 HG13 ' HG ' ' C' ' 11' ' ' LEU . 0.0 OUTLIER 49.8 6.77 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 123.347 0.659 . . . . 0.0 112.591 -179.085 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' C' ' 4' ' ' LYS . 23.6 t0 48.22 43.31 18.71 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.563 ' CD1' ' HB ' ' C' ' 5' ' ' ILE . 11.6 m95 -83.21 -69.79 0.61 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.178 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.571 ' HB2' HG21 ' A' ' 59' ' ' THR . 1.0 OUTLIER 154.79 -89.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.123 178.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -97.27 -49.37 4.97 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.606 HG23 ' H ' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.26 -48.53 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -177.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.606 ' H ' HG23 ' C' ' 10' ' ' ILE . 3.1 mm? -92.41 -32.97 14.73 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 11.4 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.194 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.757 0.313 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -94.04 -71.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.711 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 11.0 t -99.62 -9.57 23.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.585 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.558 ' O ' HG12 ' D' ' 5' ' ' ILE . 0.8 OUTLIER -81.43 -2.0 47.85 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.009 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.595 HG13 ' HG ' ' D' ' 11' ' ' LEU . 0.0 OUTLIER 49.85 6.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 123.209 0.604 . . . . 0.0 112.618 -179.143 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' D' ' 4' ' ' LYS . 23.5 t0 48.15 43.28 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.562 ' CD1' ' HB ' ' D' ' 5' ' ' ILE . 11.6 m95 -83.16 -69.78 0.61 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.239 177.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.57 ' HB2' HG21 ' B' ' 59' ' ' THR . 1.0 OUTLIER 154.8 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.06 178.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -97.33 -49.25 5.0 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.631 HG23 ' H ' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.24 -48.6 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.033 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.631 ' H ' HG23 ' D' ' 10' ' ' ILE . 3.1 mm? -92.42 -32.92 14.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 11.2 p . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.285 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.922 0.392 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.71 -24.23 63.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -43.69 94.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -33.59 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.73 -55.89 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.38 88.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.1 mtm -58.49 -53.18 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.823 ' HA ' HG13 ' A' ' 11' ' ' ILE . 24.6 t -72.35 -26.3 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.224 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.53 -37.89 89.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.209 0.528 . . . . 0.0 109.835 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.444 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 4.8 mt -66.63 -41.82 87.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.67 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.823 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -70.94 -40.22 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.407 179.47 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.59 -37.81 13.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.123 0.487 . . . . 0.0 110.026 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.444 ' CG1' HD23 ' A' ' 35' ' ' LEU . 2.6 t -75.32 -44.97 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.113 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -67.15 -26.98 66.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.878 0.371 . . . . 0.0 110.584 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -81.74 -22.33 37.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -78.43 -40.96 34.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.021 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.429 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 3.0 m-85 -82.92 -59.61 2.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.881 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 t -70.5 119.46 14.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.586 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.446 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 2.9 t-160 63.57 52.12 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.513 ' O ' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -176.39 157.29 1.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.335 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 2.7 mm? -134.58 136.66 43.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.617 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -117.02 -175.57 2.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.503 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -58.1 -29.99 65.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -54.3 7.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.32 -60.5 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.366 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -44.35 -67.45 0.28 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.88 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 72.7 mttt -51.61 -57.48 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 111.512 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.09 -35.17 59.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.751 0.31 . . . . 0.0 110.486 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.444 HD23 ' CG1' ' A' ' 13' ' ' VAL . 1.8 tt -62.18 -40.22 95.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.126 0.488 . . . . 0.0 110.26 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 3.1 mt -52.41 -67.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.006 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -58.09 -18.68 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.444 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -81.06 -41.58 22.37 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.89 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -139.57 51.05 1.75 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 85.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.698 0.285 . . . . 0.0 111.668 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.569 ' O ' HG22 ' A' ' 52' ' ' VAL . 2.4 tp10 179.77 174.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.542 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.51 -24.74 63.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.917 0.389 . . . . 0.0 110.693 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.75 -40.61 40.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.33 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.7 m -63.0 -43.8 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.074 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.408 ' CG1' ' HG2' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -58.93 -52.48 60.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.029 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -47.66 -37.19 12.31 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.106 0.479 . . . . 0.0 109.965 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -79.61 -37.49 36.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.089 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.5 t -54.2 -54.94 17.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.651 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -36.49 70.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -36.55 81.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.103 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -63.05 -23.99 67.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.278 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD1' ' CD1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -89.31 -29.83 18.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.776 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.51 100.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.348 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.45 -39.44 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.37 42.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.427 ' CA ' ' HE2' ' A' ' 26' ' ' LYS . . . -101.35 5.44 55.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.663 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t0 71.87 24.12 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.51 -33.8 4.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.779 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -105.59 -177.12 3.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.919 0.39 . . . . 0.0 110.55 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.555 ' HA ' ' HG3' ' A' ' 72' ' ' GLU . 14.2 m -114.78 112.84 23.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.604 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.48 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -100.63 -173.57 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.363 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.481 ' CE2' ' CD2' ' B' ' 85' ' ' HIS . 55.0 t80 -52.81 -32.09 42.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.126 0.489 . . . . 0.0 111.446 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.7 -38.93 76.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.555 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 2.8 mm-40 -75.58 -27.0 58.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.534 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.444 ' CE2' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -51.26 -53.72 32.85 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.18 0.514 . . . . 0.0 109.794 179.042 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.437 ' HE1' ' CE2' ' A' ' 70' ' ' PHE . 18.5 mmt -61.67 -52.86 62.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.057 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.84 -38.97 52.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.118 0.485 . . . . 0.0 110.701 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.467 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 52.8 t80 -66.57 -72.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.736 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.1 m -52.44 -26.25 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' B' ' 74' ' ' MET . . . -81.39 -51.65 8.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.912 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.4 mtm -65.35 -46.32 80.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.156 0.503 . . . . 0.0 110.18 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' C' ' 7' ' ' TRP . 59.9 t -60.81 -35.07 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.561 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.512 HG21 ' HB3' ' A' ' 85' ' ' HIS . 1.6 m -71.57 -57.7 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.086 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.0 p -48.05 -25.98 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -81.75 -72.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.555 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.8 p -88.85 -51.92 5.38 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.514 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 3.6 t60 -53.31 -18.0 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.824 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.73 -64.37 0.71 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.36 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -28.46 4.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.4 ' CZ ' ' OG1' ' C' ' 3' ' ' THR . 51.2 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.488 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.846 0.355 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.0 -24.18 64.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -43.79 94.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.37 -33.61 65.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -55.76 11.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.46 89.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtm -58.38 -53.17 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.792 ' HA ' HG13 ' B' ' 11' ' ' ILE . 24.8 t -72.45 -26.24 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.96 89.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.205 0.526 . . . . 0.0 109.847 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.444 ' O ' ' CE2' ' B' ' 73' ' ' PHE . 4.8 mt -66.69 -41.66 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.69 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.792 HG13 ' HA ' ' B' ' 8' ' ' VAL . 0.0 OUTLIER -70.93 -40.25 76.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.442 179.386 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.68 -37.77 13.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.12 0.486 . . . . 0.0 109.949 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.452 ' CG1' HD23 ' B' ' 35' ' ' LEU . 2.6 t -75.33 -45.0 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.037 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -67.11 -27.0 66.97 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.886 0.374 . . . . 0.0 110.626 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -81.76 -22.25 37.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.053 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -78.43 -40.87 34.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.005 0.431 . . . . 0.0 110.056 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' B' ' 35' ' ' LEU . 3.0 m-85 -82.9 -59.65 2.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.937 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.0 t -70.5 119.46 14.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.605 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.821 0.344 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.448 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 2.9 t-160 63.52 52.13 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.468 . . . . 0.0 110.973 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.518 ' O ' HD11 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -176.32 157.26 1.7 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.343 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' B' ' 68' ' ' CYS . 2.7 mm? -134.55 136.6 43.14 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.623 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.7 OUTLIER -116.95 -175.47 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.503 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -58.15 -29.92 65.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -54.37 7.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.29 -60.47 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.385 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -44.35 -67.49 0.28 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.865 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.405 ' HG2' ' CG1' ' B' ' 53' ' ' VAL . 72.7 mttt -51.63 -57.39 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.508 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.18 -35.1 59.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 110.525 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.452 HD23 ' CG1' ' B' ' 13' ' ' VAL . 1.7 tt -62.21 -40.22 95.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.142 0.496 . . . . 0.0 110.287 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 3.1 mt -52.38 -67.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.974 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -57.99 -18.76 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.461 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -81.02 -41.62 22.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.89 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -139.53 50.98 1.76 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 83.6 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.408 ' HB2' ' CG1' ' B' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.725 0.298 . . . . 0.0 111.672 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.564 ' O ' HG22 ' B' ' 52' ' ' VAL . 2.4 tp10 179.71 174.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.549 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.44 -24.78 63.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.915 0.388 . . . . 0.0 110.634 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.74 -40.65 40.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.304 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.564 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.7 m -63.04 -43.82 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.975 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.405 ' CG1' ' HG2' ' B' ' 33' ' ' LYS . 0.6 OUTLIER -58.89 -52.43 60.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.065 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -47.74 -37.11 12.62 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.101 0.477 . . . . 0.0 109.959 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.8 OUTLIER -79.63 -37.48 35.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.003 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.453 HG21 HG13 ' D' ' 10' ' ' ILE . 53.6 t -54.22 -54.92 17.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.679 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -36.56 70.8 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.45 81.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.157 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.458 ' N ' ' O ' ' B' ' 55' ' ' LYS . 0.2 OUTLIER -63.2 -23.93 67.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.251 179.375 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.457 ' CD1' ' CD1' ' B' ' 76' ' ' PHE . 0.4 OUTLIER -89.34 -29.87 18.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.773 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.55 100.95 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.295 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.45 -39.45 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.528 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.34 42.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.488 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.429 ' CA ' ' HE2' ' B' ' 26' ' ' LYS . . . -101.29 5.46 55.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.684 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t0 71.91 24.09 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.53 -33.79 4.18 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.848 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.488 ' HB3' ' CG ' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -105.54 -177.11 3.27 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.85 0.357 . . . . 0.0 110.623 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.538 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 14.0 m -114.8 112.83 23.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.475 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -100.65 -173.6 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.514 ' CE2' ' CD2' ' A' ' 85' ' ' HIS . 56.6 t80 -52.82 -31.92 41.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.971 0.415 . . . . 0.0 111.496 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.82 -38.98 76.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.538 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 2.8 mm-40 -75.45 -27.12 58.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.538 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.444 ' CE2' ' O ' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -51.33 -53.78 32.74 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.094 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.445 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 18.6 mmt -61.59 -52.9 62.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.022 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.88 -38.93 52.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.042 0.448 . . . . 0.0 110.681 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.457 ' CD1' ' CD1' ' B' ' 60' ' ' LEU . 52.7 t80 -66.52 -72.82 0.15 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.761 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.1 m -52.45 -26.22 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.259 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 74' ' ' MET . . . -81.34 -51.74 8.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.929 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 47.6 mtm -65.27 -46.37 80.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.148 0.499 . . . . 0.0 110.227 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.509 ' HA ' ' CD1' ' D' ' 7' ' ' TRP . 58.7 t -60.77 -34.97 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.544 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.511 HG21 ' HB3' ' B' ' 85' ' ' HIS . 1.5 m -71.49 -58.02 3.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.4 p -47.92 -25.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.431 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -81.91 -72.21 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.524 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.8 p -88.86 -52.03 5.32 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.511 ' HB3' HG21 ' B' ' 81' ' ' THR . 3.7 t60 -53.25 -17.98 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.852 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.58 -64.36 0.71 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.404 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.87 -28.38 4.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.137 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.41 ' CZ ' ' OG1' ' D' ' 3' ' ' THR . 50.7 m-85 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.376 179.144 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? . . . . . 0 N--CA 1.46 0.035 0 CA-C-O 120.924 0.392 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' THR . . . . . 0.4 ' OG1' ' CZ ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -99.18 1.3 44.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.292 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.539 ' C ' ' CD1' ' C' ' 5' ' ' ILE . 0.0 OUTLIER -78.92 -2.33 39.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.045 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.666 ' CG1' ' HG ' ' C' ' 11' ' ' LEU . 0.2 OUTLIER 35.15 35.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-O 121.137 0.494 . . . . 0.0 111.333 -179.65 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -54.4 83.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.694 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.493 ' CD1' ' HA ' ' A' ' 80' ' ' VAL . 46.1 m0 -73.73 -62.16 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.259 0.552 . . . . 0.0 109.727 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' C' ' 12' ' ' SER . 25.2 t-20 -178.64 -84.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.395 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -97.6 -50.68 4.4 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.705 HG23 ' CD2' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.78 -59.84 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.054 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.705 ' CD2' HG23 ' C' ' 10' ' ' ILE . 1.2 mm? -88.12 -11.85 45.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.07 -0.394 . . . . 0.0 110.5 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 39.8 t . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.193 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.576 0.227 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -49.69 -71.73 0.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.863 0.363 . . . . 0.0 110.538 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' THR . . . . . 0.41 ' OG1' ' CZ ' ' B' ' 88' ' ' PHE . 0.2 OUTLIER -99.22 1.41 44.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.269 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.538 ' C ' ' CD1' ' D' ' 5' ' ' ILE . 0.0 OUTLIER -79.04 -2.36 40.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.951 179.734 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.671 ' CG1' ' HG ' ' D' ' 11' ' ' LEU . 0.2 OUTLIER 35.15 35.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.182 0.515 . . . . 0.0 111.369 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -54.46 83.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.718 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.509 ' CD1' ' HA ' ' B' ' 80' ' ' VAL . 46.0 m0 -73.69 -62.23 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.263 0.554 . . . . 0.0 109.757 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.475 ' O ' ' HA ' ' D' ' 12' ' ' SER . 25.3 t-20 -178.47 -84.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.416 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -97.58 -50.71 4.39 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.702 HG23 ' CD2' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.79 -59.81 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.005 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.702 ' CD2' HG23 ' D' ' 10' ' ' ILE . 1.2 mm? -88.06 -11.86 45.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.072 -0.393 . . . . 0.0 110.576 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 40.1 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.037 -0.982 . . . . 0.0 111.277 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.756 0.313 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.4 -37.35 67.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.114 0.483 . . . . 0.0 111.061 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.48 -41.49 14.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.318 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -84.13 -28.74 27.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.027 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -71.52 -43.94 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' B' ' 6' ' ' ALA . . . -65.09 -48.46 73.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.7 mtm -59.32 -46.63 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.565 ' HA ' ' CG2' ' A' ' 11' ' ' ILE . 24.8 t -78.12 -25.12 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.675 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.37 90.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.482 0.658 . . . . 0.0 109.369 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.64 -66.5 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.027 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.565 ' CG2' ' HA ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -42.43 -38.57 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.048 179.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -49.28 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.404 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 36.8 t -57.26 -41.27 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.517 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.682 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -77.79 -29.54 50.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.448 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.3 t60 -83.6 -15.87 47.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.105 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -48.74 14.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 3.4 m-85 -83.86 -55.02 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.677 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.26 117.36 3.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.897 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.903 0.382 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -178.18 -28.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.693 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.32 160.56 16.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.83 0.348 . . . . 0.0 110.113 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' ' 68' ' ' CYS . 3.1 mm? -122.44 138.05 54.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.149 0.5 . . . . 0.0 110.103 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -113.63 -177.6 3.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.436 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.409 ' HB3' ' CE ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -51.05 -41.27 59.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.908 179.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.2 p -63.97 -55.59 21.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.461 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.432 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 5.1 mt-10 -68.55 -68.0 0.43 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.734 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -41.35 -69.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.921 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HE2' ' HB ' ' A' ' 53' ' ' VAL . 95.0 mttt -42.89 -43.68 4.19 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 111.458 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -53.05 -54.67 32.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.713 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 1.5 mm? -51.68 -35.36 42.24 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.936 0.398 . . . . 0.0 111.714 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.681 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -58.92 -47.73 88.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.013 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -88.1 -8.6 55.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.489 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' GLU . 35.4 t30 -92.62 -25.07 18.46 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -151.04 53.21 0.86 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.681 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 96.3 mt . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 120.932 0.396 . . . . 0.0 110.854 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.434 ' HB2' HG21 ' A' ' 52' ' ' VAL . 1.6 mtmm . . . . . 0 C--O 1.232 0.136 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.5 OUTLIER 168.76 178.51 0.03 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.519 0.676 . . . . 0.0 111.865 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.407 ' HG2' ' HD3' ' A' ' 33' ' ' LYS . 4.0 mt-30 -74.14 -22.4 59.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.142 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -81.21 -38.27 27.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.546 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.491 HG22 ' N ' ' A' ' 53' ' ' VAL . 20.6 m -63.01 -42.22 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.461 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.524 ' HB ' ' HE2' ' A' ' 33' ' ' LYS . 95.7 t -64.3 -47.05 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.342 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -54.31 -38.2 65.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 59' ' ' THR . 16.9 ttmt -78.98 -32.13 45.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.294 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 53' ' ' VAL . 43.1 t -56.64 -53.26 43.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.166 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -30.95 71.98 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.41 -32.69 72.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.478 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.529 ' CG2' ' HB3' ' C' ' 8' ' ' ASN . 1.2 m -61.19 -26.0 67.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.487 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -113.38 -9.73 13.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.741 -179.324 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -42.51 93.31 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.8 0.333 . . . . 0.0 111.603 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.5 m-20 -99.3 -46.96 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -160.08 28.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.34 8.79 58.97 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.628 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 61.54 25.92 15.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.52 -6.34 45.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.019 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.06 175.38 5.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.643 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.461 ' O ' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -115.37 85.11 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.448 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.693 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 2.0 p-10 -81.2 -165.43 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.495 ' HA ' ' HB2' ' A' ' 73' ' ' PHE . 8.2 t80 -70.57 -15.18 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.774 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -76.07 -37.74 57.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.183 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -25.67 35.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.472 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -54.97 -62.28 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.409 178.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.407 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 22.6 mmm -61.29 -50.84 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.387 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.03 43.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.975 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.465 ' CD1' HD13 ' A' ' 60' ' ' LEU . 14.4 t80 -85.32 -75.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.567 ' O ' ' HB ' ' A' ' 81' ' ' THR . 21.7 t -52.22 -23.5 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.485 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 74' ' ' MET . . . -85.26 -47.93 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.5 mtm -68.47 -50.54 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.435 0.636 . . . . 0.0 110.155 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' C' ' 7' ' ' TRP . 59.4 t -58.92 -40.62 80.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.013 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.567 ' HB ' ' O ' ' A' ' 77' ' ' VAL . 4.1 m -71.23 -57.18 4.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.477 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.9 m -48.36 -23.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' C' ' 6' ' ' ASP . . . -82.24 -71.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.802 0.334 . . . . 0.0 111.871 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.0 p -87.44 -51.74 5.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 0.0 112.132 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 2.3 t60 -48.3 -24.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.587 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.26 -64.36 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.359 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.51 -28.06 5.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.702 179.287 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 43.7 p . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.679 0.276 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -55.45 -37.3 67.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.174 0.511 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.51 -41.51 14.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.377 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -84.16 -28.64 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -71.63 -43.86 65.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.025 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . . . -65.1 -48.45 73.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.206 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.6 mtm -59.3 -46.63 88.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.565 ' HA ' ' CG2' ' B' ' 11' ' ' ILE . 25.3 t -78.18 -25.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.636 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.19 90.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.484 0.659 . . . . 0.0 109.401 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.76 -66.49 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.024 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.565 ' CG2' ' HA ' ' B' ' 8' ' ' VAL . 0.0 OUTLIER -42.46 -38.54 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.067 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.62 -49.4 67.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.317 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.412 ' CG1' ' HG ' ' B' ' 35' ' ' LEU . 37.2 t -57.09 -41.42 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.442 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.689 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -77.72 -29.52 51.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.335 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.442 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.3 t60 -83.52 -15.96 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.151 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -48.74 14.04 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.517 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 3.4 m-85 -83.82 -54.99 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.69 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.33 117.34 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.957 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.941 0.401 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -178.16 -28.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.276 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.67 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.35 160.57 16.92 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.451 HD22 ' O ' ' B' ' 68' ' ' CYS . 3.1 mm? -122.49 138.0 54.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.042 0.448 . . . . 0.0 110.122 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -113.61 -177.57 3.17 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.426 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.415 ' HB3' ' CE ' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -50.99 -41.41 59.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.821 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.1 p -63.99 -55.54 21.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.421 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.444 ' O ' ' CD2' ' B' ' 35' ' ' LEU . 5.1 mt-10 -68.54 -68.06 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.641 0.258 . . . . 0.0 111.665 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -41.32 -69.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.901 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.523 ' HE2' ' HB ' ' B' ' 53' ' ' VAL . 95.0 mttt -43.02 -43.65 4.36 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 111.434 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -53.01 -54.65 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.739 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.517 ' CD1' ' CD1' ' B' ' 17' ' ' TYR . 1.5 mm? -51.69 -35.38 42.54 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.666 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.688 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 0.4 OUTLIER -58.97 -47.65 89.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.992 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -88.05 -8.74 55.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.411 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 34' ' ' GLU . 35.2 t30 -92.52 -25.23 18.48 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.206 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -150.95 53.24 0.86 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.688 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 96.7 mt . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.938 0.399 . . . . 0.0 110.803 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.426 ' HB2' HG21 ' B' ' 52' ' ' VAL . 1.6 mtmm . . . . . 0 C--O 1.231 0.103 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.46 ' O ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER 168.79 178.47 0.03 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.555 0.693 . . . . 0.0 111.764 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.415 ' HG2' ' HD3' ' B' ' 33' ' ' LYS . 4.0 mt-30 -74.04 -22.36 59.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.222 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -81.18 -38.27 27.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.563 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.48 HG22 ' N ' ' B' ' 53' ' ' VAL . 20.9 m -63.05 -42.23 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.313 . . . . 0.0 110.456 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.523 ' HB ' ' HE2' ' B' ' 33' ' ' LYS . 93.9 t -64.28 -47.03 91.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.354 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -54.36 -38.15 65.76 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' B' ' 59' ' ' THR . 16.9 ttmt -79.04 -32.05 44.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.259 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' B' ' 53' ' ' VAL . 42.9 t -56.73 -53.23 44.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.142 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -30.95 71.98 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -32.73 72.93 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.47 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.537 ' CG2' ' HB3' ' D' ' 8' ' ' ASN . 1.2 m -61.19 -25.99 67.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.419 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' B' ' 76' ' ' PHE . 0.3 OUTLIER -113.32 -9.75 13.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.713 -179.336 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -42.57 93.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.857 0.36 . . . . 0.0 111.675 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 60' ' ' LEU . 2.5 m-20 -99.28 -46.9 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.68 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -160.18 28.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.43 8.82 58.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.496 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 61.59 25.88 15.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.5 -6.39 45.33 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.047 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -98.97 175.36 5.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.614 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.451 ' O ' HD22 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -115.4 85.03 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.431 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.67 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 2.1 p-10 -81.08 -165.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.494 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 8.2 t80 -70.52 -15.29 62.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.997 0.427 . . . . 0.0 110.843 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -76.07 -37.73 57.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.183 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.62 -25.66 35.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.493 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.689 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -54.94 -62.22 1.8 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.463 178.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.401 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 21.8 mmm -61.31 -50.87 71.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.454 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.62 -20.0 43.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.039 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.465 ' CD1' HD13 ' B' ' 60' ' ' LEU . 14.4 t80 -85.34 -75.43 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.096 0.474 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.576 ' O ' ' HB ' ' B' ' 81' ' ' THR . 21.6 t -52.19 -23.43 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.511 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.38 -47.82 9.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.5 mtm -68.57 -50.42 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 0.0 110.086 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.491 HG13 ' CE2' ' D' ' 7' ' ' TRP . 59.3 t -59.04 -40.5 80.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.033 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' B' ' 77' ' ' VAL . 4.1 m -71.36 -57.14 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.453 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.4 m -48.39 -23.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.416 ' HB1' ' CB ' ' D' ' 6' ' ' ASP . . . -82.21 -71.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.794 0.331 . . . . 0.0 111.878 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.9 p -87.39 -51.86 5.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.084 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 2.3 t60 -48.22 -24.55 1.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.25 -64.29 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.367 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.57 -27.99 5.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.505 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.672 179.334 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.689 0.28 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.57 -4.2 34.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.548 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.566 ' O ' HG12 ' C' ' 5' ' ' ILE . 1.3 tmtt? -80.23 -1.83 42.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.977 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.566 HG12 ' O ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 47.35 11.96 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -179.458 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' C' ' 4' ' ' LYS . 23.7 t0 37.66 28.86 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.514 ' O ' ' CB ' ' C' ' 8' ' ' ASN . 10.3 m95 -70.97 -67.99 0.47 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.558 ' O ' ' HA ' ' C' ' 12' ' ' SER . 35.1 t30 148.28 -97.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.598 0.759 . . . . 0.0 110.991 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -44.72 6.53 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.526 ' CG2' ' N ' ' C' ' 11' ' ' LEU . 0.1 OUTLIER -54.2 -58.51 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.798 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.526 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 2.0 mp -93.82 -18.73 21.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.004 0.43 . . . . 0.0 110.323 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.558 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 13.0 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.991 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.817 0.341 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.29 -71.16 0.12 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.54 -4.2 34.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.575 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.559 ' O ' HG12 ' D' ' 5' ' ' ILE . 1.3 tmtt? -80.16 -1.96 42.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.966 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.559 HG12 ' O ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 47.34 12.02 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' D' ' 4' ' ' LYS . 23.8 t0 37.66 28.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.504 ' CD1' ' HB ' ' D' ' 5' ' ' ILE . 10.3 m95 -71.03 -67.91 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.559 ' O ' ' HA ' ' D' ' 12' ' ' SER . 35.0 t30 148.32 -97.53 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.638 0.775 . . . . 0.0 111.005 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.93 -44.76 6.55 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.526 ' CG2' ' N ' ' D' ' 11' ' ' LEU . 0.1 OUTLIER -54.22 -58.44 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -177.724 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.526 ' N ' ' CG2' ' D' ' 10' ' ' ILE . 2.0 mp -93.83 -18.69 21.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.351 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.559 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 12.8 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.997 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.84 -29.44 70.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -50.59 70.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.66 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.45 -46.15 91.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.669 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -56.6 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.677 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.29 85.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 mtt -56.52 -51.09 69.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.0 t -73.86 -26.3 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.445 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.86 88.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.427 0.632 . . . . 0.0 109.602 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 4.7 mt -73.41 -49.51 26.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.118 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.466 HG12 ' CE2' ' A' ' 70' ' ' PHE . 17.9 mt -58.69 -50.24 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.893 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.39 -51.51 14.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.576 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.9 t -50.79 -52.22 17.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.877 0.37 . . . . 0.0 111.762 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -74.27 -31.37 62.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.407 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.2 t-80 -64.83 -19.85 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.762 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -52.4 6.34 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.961 0.41 . . . . 0.0 109.985 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.466 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 7.7 m-85 -83.89 -71.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.04 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.478 ' CB ' ' CD2' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -45.89 137.85 5.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.138 -179.68 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.43 ' HA3' ' CB ' ' A' ' 24' ' ' LYS . . . . . . . . 0 CA--C 1.519 0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 113.213 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.43 ' CB ' ' HA3' ' A' ' 19' ' ' GLY . 10.6 tttp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.964 0.411 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -151.97 67.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.558 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.642 ' CE ' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -174.14 173.73 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.135 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 2.0 mp -136.74 136.95 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.493 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 2.7 mtmt -101.2 179.05 4.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.928 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 12.0 mttt -53.14 -28.61 26.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.4 m -80.79 -38.6 28.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.794 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -70.23 -63.87 1.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.77 -55.89 12.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HG3' HG13 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -45.49 -42.66 10.91 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.55 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.4 mm-40 -57.98 -68.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.495 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.502 ' HA ' ' HB3' ' A' ' 38' ' ' ASN . 1.3 mm? -40.34 -32.79 0.2 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.01 0.433 . . . . 0.0 111.869 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.607 ' HA ' ' HG ' ' A' ' 40' ' ' LEU . 1.3 mt -56.57 -67.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.438 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -79.21 -8.21 58.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.407 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.502 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 4.5 t30 -76.74 -43.84 35.59 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.706 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -167.57 60.55 0.08 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.607 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 8.5 mt . . . . . 0 N--CA 1.464 0.226 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.683 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.779 0.323 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -160.53 -179.38 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.699 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -38.03 51.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 0.0 110.592 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.76 95.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.226 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 49' ' ' GLU . 4.2 m -63.13 -42.07 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.23 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.514 HG13 ' HG3' ' A' ' 33' ' ' LYS . 5.3 t -51.03 -59.16 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.687 0.28 . . . . 0.0 111.32 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.29 -43.78 22.74 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.917 0.389 . . . . 0.0 110.381 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -71.38 -34.45 70.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.556 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.414 HG21 ' HA ' ' A' ' 53' ' ' VAL . 82.2 t -57.31 -57.81 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.342 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.23 -33.57 69.48 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -34.27 75.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.429 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.5 HG22 ' HB2' ' C' ' 8' ' ' ASN . 2.7 m -68.61 -14.08 62.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.913 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -85.57 -14.26 46.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.443 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.24 92.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.862 0.363 . . . . 0.0 111.363 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -113.12 -31.21 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -178.7 43.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.57 5.72 18.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.641 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.44 25.51 15.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.956 0.408 . . . . 0.0 110.528 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.22 -33.54 3.98 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -97.05 177.84 5.46 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 110.208 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 5.4 m -134.32 115.5 14.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.286 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.642 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 16.5 p-10 -88.47 -153.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.144 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.604 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -74.05 -31.62 62.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.678 0.275 . . . . 0.0 111.252 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -70.19 -29.16 65.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.779 -179.257 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.466 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 6.0 mm-40 -76.62 -50.99 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.391 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -64.36 -39.32 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.806 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 63.6 mmm -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 0.0 110.024 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -71.41 -32.19 68.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.56 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.737 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 75.8 t80 -65.79 -71.28 0.2 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.459 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.41 ' O ' ' CG2' ' A' ' 81' ' ' THR . 22.9 t -46.74 -29.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.06 0.457 . . . . 0.0 110.533 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.67 -38.77 17.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.108 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.737 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 1.4 ptt? -78.14 -41.94 33.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.181 0.515 . . . . 0.0 110.699 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.622 ' HA ' ' O ' ' C' ' 5' ' ' ILE . 49.1 t -64.53 -44.26 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 85' ' ' HIS . 10.1 t -69.4 -41.0 77.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.134 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 p -55.3 -32.26 62.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.05 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.501 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -77.14 -62.33 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.5 p -87.08 -49.37 7.36 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' CB ' ' OG1' ' A' ' 81' ' ' THR . 0.6 OUTLIER -50.56 -22.69 2.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.824 0.345 . . . . 0.0 110.785 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -46.06 -63.71 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.017 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -30.6 6.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.492 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.434 179.314 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.854 0.359 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.68 -29.48 70.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -50.52 71.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.666 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.41 -46.21 90.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.662 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -56.62 17.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.32 85.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.5 mtt -56.54 -51.08 69.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.9 t -73.96 -26.11 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.475 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.0 89.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.393 0.616 . . . . 0.0 109.558 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.419 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 4.8 mt -73.36 -49.56 26.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.129 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.469 HG12 ' CE2' ' B' ' 70' ' ' PHE . 17.8 mt -58.65 -50.08 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.97 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.58 -51.49 15.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.52 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 21.1 t -50.89 -52.17 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.343 . . . . 0.0 111.673 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.49 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -74.29 -31.32 62.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.713 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.402 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.2 t-80 -64.86 -19.87 66.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.99 -52.42 6.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.012 0.434 . . . . 0.0 109.977 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.466 ' CD1' HD11 ' B' ' 35' ' ' LEU . 7.7 m-85 -83.9 -71.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.058 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.485 ' CB ' ' CD2' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -45.79 137.88 5.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.154 -179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.429 ' HA3' ' CB ' ' B' ' 24' ' ' LYS . . . . . . . . 0 CA--C 1.518 0.241 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.287 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.429 ' CB ' ' HA3' ' B' ' 19' ' ' GLY . 10.6 tttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.987 0.423 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -151.98 67.9 0.87 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.522 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.634 ' CE ' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -174.2 173.73 3.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.034 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' B' ' 68' ' ' CYS . 2.0 mp -136.71 137.07 39.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 0.0 110.475 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.519 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 2.8 mtmt -101.38 179.06 4.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.861 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 12.0 mttt -53.1 -28.62 26.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.2 m -80.68 -38.78 28.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.21 -63.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.7 -55.9 12.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.197 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.53 ' HG3' HG13 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -45.45 -42.81 10.88 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.476 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' B' ' 38' ' ' ASN . 2.4 mm-40 -57.8 -68.41 0.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.517 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.513 ' HA ' ' HB3' ' B' ' 38' ' ' ASN . 1.3 mm? -40.51 -32.69 0.21 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.955 0.407 . . . . 0.0 111.769 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.609 ' HA ' ' HG ' ' B' ' 40' ' ' LEU . 1.3 mt -56.68 -67.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.4 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -79.17 -8.25 58.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.472 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.513 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 4.5 t30 -76.81 -43.76 35.32 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.673 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -167.57 60.5 0.08 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.609 ' HG ' ' HA ' ' B' ' 36' ' ' ILE . 8.5 mt . . . . . 0 C--N 1.331 -0.231 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.712 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.66 0.267 . . . . 0.0 111.37 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.474 ' O ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -160.56 -179.51 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.709 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -38.01 51.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.964 0.412 . . . . 0.0 110.586 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.77 95.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.278 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 49' ' ' GLU . 4.2 m -63.19 -42.05 95.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.218 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.53 HG13 ' HG3' ' B' ' 33' ' ' LYS . 5.2 t -50.96 -59.28 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 120.689 0.28 . . . . 0.0 111.329 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.26 -43.83 22.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.908 0.385 . . . . 0.0 110.331 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -71.36 -34.35 70.39 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.619 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.431 HG21 ' HA ' ' B' ' 53' ' ' VAL . 82.5 t -57.3 -57.85 8.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.339 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.22 -33.48 69.36 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -34.27 75.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.368 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.478 HG22 ' HB2' ' D' ' 8' ' ' ASN . 2.7 m -68.64 -13.94 62.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.972 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -85.61 -14.34 45.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.475 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.16 92.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.835 0.35 . . . . 0.0 111.377 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -113.24 -31.02 6.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.736 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -178.83 43.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.54 5.66 18.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.48 25.53 15.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 110.52 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.11 -33.44 4.03 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.506 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.519 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -97.03 177.84 5.47 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.836 0.35 . . . . 0.0 110.265 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.539 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 5.5 m -134.33 115.5 14.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.25 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.634 ' HB3' ' CE ' ' B' ' 26' ' ' LYS . 16.4 p-10 -88.46 -153.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.142 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.605 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 1.0 OUTLIER -73.88 -31.77 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.292 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -29.11 65.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.801 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 6.0 mm-40 -76.6 -51.05 12.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 111.401 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -64.33 -39.28 93.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.854 -179.742 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.518 ' HG3' ' CZ ' ' B' ' 70' ' ' PHE . 63.5 mmm -62.06 -35.3 78.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.016 0.436 . . . . 0.0 109.888 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -71.35 -32.22 68.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.598 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.737 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 75.9 t80 -65.84 -71.23 0.2 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.436 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.413 ' O ' ' CG2' ' B' ' 81' ' ' THR . 22.6 t -46.65 -29.59 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.086 0.469 . . . . 0.0 110.616 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.51 -38.94 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.133 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.737 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 1.4 ptt? -77.98 -42.04 34.08 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.178 0.513 . . . . 0.0 110.691 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.613 ' HA ' ' O ' ' D' ' 5' ' ' ILE . 49.1 t -64.49 -44.33 96.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' B' ' 77' ' ' VAL . 10.1 t -69.29 -41.0 77.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.177 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 p -55.32 -32.28 62.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.073 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -77.1 -62.27 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.4 ' HB3' ' CG2' ' D' ' 5' ' ' ILE . 14.6 p -87.17 -49.22 7.44 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.41 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 0.6 OUTLIER -50.63 -22.64 2.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.874 0.369 . . . . 0.0 110.821 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -45.92 -63.78 0.89 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.1 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -30.77 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.36 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.51 179.333 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.866 0.365 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -98.25 1.55 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.344 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.547 ' HG3' ' H ' ' C' ' 6' ' ' ASP . 0.0 OUTLIER -90.41 -7.96 51.81 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.38 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.622 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER 48.82 12.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.547 ' H ' ' HG3' ' C' ' 4' ' ' LYS . 30.0 t0 45.8 41.63 7.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.566 ' HB2' ' HB2' ' C' ' 11' ' ' LEU . 11.5 m95 -78.63 -69.08 0.59 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.5 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.9 OUTLIER 156.14 -88.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.671 178.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -97.56 -52.1 3.89 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.529 HG23 ' CE3' ' C' ' 7' ' ' TRP . 0.1 OUTLIER -54.09 -54.4 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.566 ' HB2' ' HB2' ' C' ' 7' ' ' TRP . 2.6 mm? -87.5 -23.97 24.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.071 0.462 . . . . 0.0 110.057 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 19.9 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.194 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.887 0.375 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -99.03 -69.1 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -98.34 1.55 47.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.305 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.546 ' HG3' ' H ' ' D' ' 6' ' ' ASP . 0.0 OUTLIER -90.47 -7.81 52.07 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 111.416 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.613 ' O ' ' HA ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER 48.76 12.61 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.546 ' H ' ' HG3' ' D' ' 4' ' ' LYS . 29.9 t0 45.8 41.6 7.82 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.557 ' HB2' ' HB2' ' D' ' 11' ' ' LEU . 11.5 m95 -78.63 -69.07 0.59 Allowed 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.478 ' HB2' HG22 ' B' ' 59' ' ' THR . 0.9 OUTLIER 156.13 -88.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.628 178.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -97.64 -51.97 3.93 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.524 HG23 ' CE3' ' D' ' 7' ' ' TRP . 0.1 OUTLIER -54.19 -54.36 21.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.858 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.557 ' HB2' ' HB2' ' D' ' 7' ' ' TRP . 2.6 mm? -87.57 -23.91 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.042 0.449 . . . . 0.0 109.988 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 20.3 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.178 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.863 0.363 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.15 -14.06 62.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.356 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mt -82.26 -25.6 33.92 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -84.01 -43.03 15.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.567 0.222 . . . . 0.0 111.344 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -49.45 29.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.367 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' B' ' 6' ' ' ALA . . . -57.83 -50.83 71.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.299 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.539 ' O ' HG12 ' A' ' 11' ' ' ILE . 23.2 ttm -48.33 -63.1 1.17 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.468 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 19.4 t -69.27 -22.69 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.025 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.68 93.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.325 0.583 . . . . 0.0 109.933 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 1.1 pp -71.06 -37.29 72.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.723 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' MET . 2.6 mm -64.72 -43.6 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.44 -40.61 18.47 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.529 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.4 t -58.05 -47.49 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.464 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -71.01 -26.92 63.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.617 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -81.4 -20.4 40.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.394 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -81.72 -38.28 26.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.97 0.414 . . . . 0.0 110.497 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 1.8 m-85 -83.02 -55.13 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -62.68 -48.82 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.25 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.755 -179.786 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.767 0.318 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 9.8 t-160 -167.32 47.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.045 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HE3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -175.88 147.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 2.1 mm? -135.04 139.16 44.57 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -115.99 -178.19 3.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.111 0.482 . . . . 0.0 111.807 -179.204 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -59.44 -19.05 44.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.858 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 m -83.46 -54.53 4.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -78.33 -55.08 5.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.357 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -46.75 -61.04 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.591 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HG3' HG13 ' A' ' 53' ' ' VAL . 5.2 mptt -54.98 -58.95 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.16 -41.48 65.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.573 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.428 ' HG ' ' CD1' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -59.08 -50.89 72.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.16 0.505 . . . . 0.0 111.101 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.48 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 2.2 mt -56.0 -41.81 69.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.59 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.66 -13.44 59.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.451 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.48 -33.17 13.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.02 -37.53 5.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.525 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 36' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.003 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.614 0.245 . . . . 0.0 111.643 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.554 ' O ' HG22 ' A' ' 52' ' ' VAL . 28.8 mt-10 -108.64 -176.11 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.136 0.493 . . . . 0.0 111.631 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.496 ' HA ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.2 -41.32 49.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.094 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -42.58 97.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 49' ' ' GLU . 8.9 m -62.13 -42.7 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.019 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.709 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 1.9 t -51.97 -43.51 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 120.624 0.25 . . . . 0.0 111.444 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 4.1 m-20 -58.8 -55.77 30.85 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -63.58 -43.3 97.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.709 ' CG1' ' HA ' ' A' ' 53' ' ' VAL . 10.6 p -64.14 -50.75 75.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.163 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.522 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 1.7 tmm? -58.29 -43.02 87.84 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -66.98 -31.54 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.522 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.43 ' OG1' ' HB ' ' C' ' 10' ' ' ILE . 21.4 m -64.44 -30.08 71.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.444 HD12 ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -87.17 -26.62 23.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.415 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -43.6 95.91 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.861 0.362 . . . . 0.0 111.306 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -109.14 -56.44 2.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.713 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.4 31.74 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.1 9.87 58.13 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.502 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.21 23.02 11.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.808 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.17 -26.05 10.79 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.616 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.495 ' HB3' ' HG3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -94.6 -177.58 4.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.755 0.312 . . . . 0.0 110.544 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -121.22 86.12 2.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.372 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.5 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 7.8 p-10 -73.53 -159.16 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.502 ' CZ ' ' CD2' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -73.71 -30.85 63.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.38 . . . . 0.0 110.687 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.4 -39.49 87.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.373 0.606 . . . . 0.0 110.11 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 2.0 mm-40 -69.74 -31.81 70.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.827 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.42 -53.83 51.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.102 178.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.412 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 29.9 mmt -51.81 -54.31 30.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.546 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.13 74.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -55.63 -74.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.447 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 81' ' ' THR . 4.2 p -59.78 -36.67 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.182 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 74' ' ' MET . . . -65.86 -50.05 65.93 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.8 mtm -64.65 -67.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.261 0.553 . . . . 0.0 111.268 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.416 HG22 ' CD2' ' C' ' 7' ' ' TRP . 12.1 t -45.46 -27.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.341 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.516 ' HA ' ' HB2' ' A' ' 85' ' ' HIS . 15.9 p -78.66 -52.75 7.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.877 0.37 . . . . 0.0 111.43 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.5 m -45.07 -33.47 2.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.746 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' C' ' 5' ' ' ILE . . . -82.67 -65.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.9 p -84.83 -45.45 12.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.544 ' C ' ' H ' ' A' ' 87' ' ' PHE . 1.7 t60 -55.46 -16.69 4.0 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.497 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -56.95 -0.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.843 177.338 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.544 ' H ' ' C ' ' A' ' 85' ' ' HIS . 60.2 m-85 83.79 34.65 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 36.2 p90 . . . . . 0 C--O 1.231 0.117 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.391 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.878 0.371 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.19 -13.92 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.418 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mt -82.28 -25.65 33.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.549 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.94 -43.07 15.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.593 0.235 . . . . 0.0 111.357 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -49.42 29.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.859 0.362 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . . . -57.92 -50.85 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.53 ' O ' HG12 ' B' ' 11' ' ' ILE . 23.5 ttm -48.27 -63.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.467 ' HA ' ' CG1' ' B' ' 11' ' ' ILE . 19.0 t -69.26 -22.71 26.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.117 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.78 94.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.291 0.567 . . . . 0.0 109.92 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' B' ' 11' ' ' ILE . 1.1 pp -71.05 -37.14 72.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.727 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.53 HG12 ' O ' ' B' ' 7' ' ' MET . 2.6 mm -64.84 -43.57 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.525 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -40.61 18.17 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.04 -47.46 86.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.472 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -71.05 -26.86 63.27 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.618 179.466 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -81.46 -20.44 40.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.376 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.81 -38.11 26.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.539 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.426 ' CG ' ' HG ' ' B' ' 35' ' ' LEU . 1.8 m-85 -83.06 -55.15 4.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.05 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -62.76 -48.84 77.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.16 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.173 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.765 -179.772 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.743 0.306 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.438 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 9.8 t-160 -167.37 47.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.5 ' HG3' ' HB3' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -175.87 147.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' B' ' 68' ' ' CYS . 2.1 mm? -135.02 139.26 44.69 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.441 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -116.0 -178.21 3.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.122 0.487 . . . . 0.0 111.731 -179.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -59.41 -19.15 44.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.891 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 44.4 m -83.37 -54.49 4.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.82 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -78.27 -55.11 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.374 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -46.85 -61.03 2.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.55 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.479 ' HG3' HG13 ' B' ' 53' ' ' VAL . 5.3 mptt -54.95 -58.99 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 111.11 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.11 -41.49 65.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.58 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.426 ' HG ' ' CG ' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -59.15 -50.89 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.146 0.498 . . . . 0.0 111.037 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.491 ' HA ' ' CD1' ' B' ' 40' ' ' LEU . 2.2 mt -55.93 -41.92 69.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.553 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.6 -13.41 59.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.519 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -94.66 -32.98 13.14 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.14 -37.5 5.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.506 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' B' ' 36' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.697 0.284 . . . . 0.0 111.648 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.546 ' O ' HG22 ' B' ' 52' ' ' VAL . 28.9 mt-10 -108.73 -176.02 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.08 0.466 . . . . 0.0 111.59 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.482 ' HA ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -76.26 -41.35 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.115 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -42.61 97.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.194 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.546 HG22 ' O ' ' B' ' 49' ' ' GLU . 9.1 m -62.2 -42.7 96.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.038 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.719 ' HA ' ' CG1' ' B' ' 56' ' ' VAL . 1.9 t -51.92 -43.59 36.08 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-O 120.721 0.296 . . . . 0.0 111.416 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 4.1 m-20 -58.74 -55.78 30.68 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.562 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.405 ' HB3' HG12 ' D' ' 10' ' ' ILE . 2.4 ttmt -63.51 -43.31 97.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.719 ' CG1' ' HA ' ' B' ' 53' ' ' VAL . 10.6 p -64.2 -50.6 76.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.128 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.508 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 1.7 tmm? -58.43 -42.98 88.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -66.97 -31.58 72.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.619 179.101 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.427 ' OG1' ' HB ' ' D' ' 10' ' ' ILE . 21.6 m -64.37 -30.05 71.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.442 HD12 ' CE2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -87.27 -26.54 23.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.448 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -43.76 95.96 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.883 0.373 . . . . 0.0 111.276 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -109.06 -56.44 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.744 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.53 31.8 2.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.12 9.77 58.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.451 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.29 23.01 11.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.796 0.332 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.15 -26.14 10.72 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.5 ' HB3' ' HG3' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -94.6 -177.52 4.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.54 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -121.25 86.19 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.373 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.489 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 7.9 p-10 -73.55 -159.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.492 ' CZ ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -73.81 -30.83 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.025 0.441 . . . . 0.0 110.741 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.4 -39.39 87.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.353 0.597 . . . . 0.0 110.204 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.495 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 2.0 mm-40 -69.68 -31.91 70.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.889 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.1 OUTLIER -55.44 -53.75 52.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.128 178.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' B' ' 78' ' ' ALA . 29.9 mmt -51.8 -54.41 29.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.512 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.41 -33.2 75.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.442 ' CE2' HD12 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -55.59 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.429 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' B' ' 81' ' ' THR . 4.3 p -59.84 -36.7 67.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.125 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' B' ' 74' ' ' MET . . . -65.97 -49.96 66.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.76 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.8 mtm -64.73 -67.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.282 0.563 . . . . 0.0 111.257 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' D' ' 7' ' ' TRP . 12.3 t -45.53 -27.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.348 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.514 ' HA ' ' HB2' ' B' ' 85' ' ' HIS . 16.0 p -78.72 -52.76 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.0 111.383 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -45.1 -33.45 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.764 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' D' ' 5' ' ' ILE . . . -82.58 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 19.9 p -84.78 -45.5 12.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.554 ' C ' ' H ' ' B' ' 87' ' ' PHE . 1.7 t60 -55.47 -16.64 3.98 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.493 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' B' ' 87' ' ' PHE . 0.4 OUTLIER -56.92 -1.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.8 177.397 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . 0.554 ' H ' ' C ' ' B' ' 85' ' ' HIS . 60.4 m-85 83.81 34.72 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -177.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 36.3 p90 . . . . . 0 CA--C 1.528 0.1 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.448 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.893 0.377 . . . . 0.0 110.423 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -99.32 1.9 44.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.548 ' HD3' ' HB3' ' C' ' 6' ' ' ASP . 0.1 OUTLIER -79.22 -3.17 44.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.549 179.577 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.554 ' O ' ' CD1' ' C' ' 7' ' ' TRP . 0.2 OUTLIER 33.79 37.62 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 121.354 0.597 . . . . 0.0 111.589 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.548 ' HB3' ' HD3' ' C' ' 4' ' ' LYS . 17.9 p-10 -60.82 83.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.989 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' C' ' 5' ' ' ILE . 20.6 m0 -75.47 -39.33 58.83 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' C' ' 12' ' ' SER . 3.8 m-20 168.41 -93.63 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.743 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.41 ' H ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -97.92 -44.81 6.53 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.659 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.553 HG23 ' CE3' ' C' ' 7' ' ' TRP . 0.0 OUTLIER -53.95 -59.24 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.034 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.55 ' N ' HG21 ' C' ' 10' ' ' ILE . 3.8 mm? -91.73 -12.88 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 47.2 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.165 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.678 0.275 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' B' ' 83' ' ' ALA . 0.4 OUTLIER -50.38 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.436 179.766 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -99.25 1.88 45.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.977 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.545 ' HD3' ' HB3' ' D' ' 6' ' ' ASP . 0.1 OUTLIER -79.18 -3.12 44.14 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.495 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.544 ' O ' ' CD1' ' D' ' 7' ' ' TRP . 0.2 OUTLIER 33.85 37.48 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.31 0.576 . . . . 0.0 111.6 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.545 ' HB3' ' HD3' ' D' ' 4' ' ' LYS . 17.9 p-10 -60.84 83.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.075 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.557 ' CE3' HG23 ' D' ' 10' ' ' ILE . 20.2 m0 -75.39 -39.4 59.14 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' D' ' 12' ' ' SER . 3.8 m-20 168.49 -93.58 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.708 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . 0.403 ' H ' ' CG2' ' B' ' 59' ' ' THR . 0.0 OUTLIER -98.0 -44.79 6.51 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.557 HG23 ' CE3' ' D' ' 7' ' ' TRP . 0.0 OUTLIER -53.87 -59.24 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -178.075 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.556 ' N ' HG21 ' D' ' 10' ' ' ILE . 3.8 mm? -91.77 -12.86 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 47.4 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.199 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.6 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.885 0.374 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.513 ' O ' ' HD2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -61.81 -38.57 88.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.361 0.601 . . . . 0.0 110.745 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.469 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -55.16 -23.05 19.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.834 179.752 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.44 -43.4 14.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.517 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.513 ' HD2' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -79.82 -34.38 39.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.698 0.285 . . . . 0.0 111.098 -179.562 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.54 95.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.844 0.355 . . . . 0.0 110.633 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.5 ttm -58.86 -54.39 47.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.261 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.479 ' HA ' HG23 ' A' ' 11' ' ' ILE . 23.6 t -74.21 -17.54 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.466 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.97 90.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.36 0.6 . . . . 0.0 109.453 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -65.56 -58.97 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.072 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.479 HG23 ' HA ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -52.66 -38.36 27.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.504 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.7 -43.45 47.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.984 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.417 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 3.2 t -63.69 -34.15 66.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.559 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -79.7 -28.74 40.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.114 179.458 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.4 m170 -81.26 -15.96 54.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.01 -50.01 9.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.889 0.376 . . . . 0.0 110.001 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.519 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 3.7 m-85 -83.7 -60.54 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.433 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.85 127.99 34.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.904 0.383 . . . . 0.0 111.07 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.627 ' N ' ' HB2' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.689 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.627 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.914 0.388 . . . . 0.0 111.327 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 14.8 t-160 -168.82 -33.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.962 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.679 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.56 157.08 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.385 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 68' ' ' CYS . 3.4 mp -134.58 138.82 44.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 -178.67 3.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.321 -179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -47.08 -44.01 20.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.775 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -56.77 -50.21 72.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.725 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -69.89 -68.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.973 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.9 tp -42.37 -71.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.91 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.457 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 75.2 mttt -42.58 -46.44 4.93 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.772 0.32 . . . . 0.0 111.711 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -49.2 -58.45 4.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.519 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 1.2 mm? -52.92 -32.59 46.3 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.924 0.392 . . . . 0.0 111.523 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.584 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 1.5 mt -58.93 -53.3 49.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.71 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -83.81 -8.17 59.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.636 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.423 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 5.7 t-20 -97.65 -18.57 18.81 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -150.03 42.43 0.86 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.173 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.584 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 59.1 mt . . . . . 0 N--CA 1.464 0.272 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.858 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 49' ' ' GLU . 6.2 mtmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 48' ' ' LYS . 6.6 tt0 174.39 175.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.714 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -16.83 61.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.08 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -81.29 -40.01 24.34 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.228 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.438 ' O ' ' CG2' ' A' ' 56' ' ' VAL . 14.8 m -64.63 -38.35 82.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.481 ' HA ' HG22 ' A' ' 56' ' ' VAL . 74.3 t -64.56 -51.29 69.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.125 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.4 -32.85 18.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.235 0.54 . . . . 0.0 109.715 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -85.38 -30.69 23.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.478 178.339 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 53' ' ' VAL . 55.0 t -61.15 -48.33 89.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.8 ptp -68.11 -39.48 82.8 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -32.94 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.115 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' C' ' 8' ' ' ASN . 34.5 m -76.92 -20.16 56.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.105 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 76' ' ' PHE . 7.3 mt -98.68 -17.88 18.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.04 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -40.59 93.26 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.066 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.48 -31.57 9.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.349 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 p30 179.1 38.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.624 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.74 5.83 22.5 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.934 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 63.04 24.79 14.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.683 0.278 . . . . 0.0 111.198 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.64 18.34 11.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.67 -0.776 . . . . 0.0 113.15 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.36 159.51 33.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.791 0.329 . . . . 0.0 110.338 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.431 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -100.99 86.58 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.679 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -74.35 -175.01 2.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 0.0 110.386 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.573 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -63.27 -35.54 80.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.778 -179.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 82' ' ' THR . 0.2 OUTLIER -74.19 -26.36 60.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.96 -38.4 45.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.333 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -73.44 -31.81 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.655 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.433 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 6.7 mmm -61.9 -60.94 2.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' MET . . . -60.52 -23.53 64.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.752 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 20.7 t80 -67.37 -71.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.901 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.46 ' O ' ' CG2' ' A' ' 81' ' ' THR . 22.8 t -45.6 -29.92 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-O 121.108 0.48 . . . . 0.0 110.654 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.42 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -85.98 -44.65 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.969 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -69.53 -41.45 75.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.342 0.591 . . . . 0.0 110.571 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.467 ' CG2' ' CE1' ' A' ' 76' ' ' PHE . 57.9 t -64.61 -42.99 96.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.843 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 52.2 p -73.35 -49.13 28.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.06 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.426 HG22 ' O ' ' B' ' 71' ' ' GLN . 13.3 p -46.22 -31.81 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.904 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.62 -68.66 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -53.84 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.459 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 6.2 t60 -47.11 -20.44 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.0 110.952 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.458 ' HA ' ' CE2' ' B' ' 70' ' ' PHE . 30.2 tt0 -55.03 -65.66 0.54 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.032 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -13.86 6.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 N--CA 1.451 -0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.626 179.45 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 84.9 p . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.515 ' O ' ' HD2' ' B' ' 5' ' ' LYS . 0.2 OUTLIER -61.95 -38.6 89.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.282 0.563 . . . . 0.0 110.689 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.474 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 0.7 OUTLIER -55.02 -23.17 18.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.92 179.666 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.4 -43.27 14.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.611 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.515 ' HD2' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -79.85 -34.38 39.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.701 0.286 . . . . 0.0 111.086 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.65 95.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.891 0.376 . . . . 0.0 110.533 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.5 ttm -58.84 -54.22 49.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.314 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.466 ' HA ' HG23 ' B' ' 11' ' ' ILE . 24.0 t -74.35 -17.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.381 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.35 -40.91 90.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.489 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -65.6 -58.94 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.099 179.081 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.466 HG23 ' HA ' ' B' ' 8' ' ' VAL . 0.8 OUTLIER -52.69 -38.3 27.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.513 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.73 -43.38 47.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.972 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.423 ' CG1' ' HG ' ' B' ' 35' ' ' LEU . 3.2 t -63.74 -34.12 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.615 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -79.54 -28.99 41.24 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.192 179.394 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.406 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.4 m170 -81.1 -15.92 54.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.9 -50.15 9.5 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.863 0.363 . . . . 0.0 110.031 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.502 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 3.6 m-85 -83.66 -60.45 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.453 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.95 128.03 34.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.637 ' N ' ' HB2' ' B' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.206 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.718 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.637 ' HB2' ' N ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.906 0.384 . . . . 0.0 111.331 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.444 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 14.8 t-160 -168.92 -33.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.702 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.68 157.01 20.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.419 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.428 HD12 ' O ' ' B' ' 68' ' ' CYS . 3.4 mp -134.53 138.8 44.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 -178.73 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.355 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' NZ ' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -47.11 -43.87 20.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.86 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -56.86 -50.17 73.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.646 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.449 ' O ' ' CD2' ' B' ' 35' ' ' LEU . 0.3 OUTLIER -70.02 -68.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.889 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 30.5 tp -42.29 -71.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.911 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.453 ' O ' ' HB ' ' B' ' 36' ' ' ILE . 75.2 mttt -42.48 -46.41 4.79 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 111.835 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.434 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -49.22 -58.47 4.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.001 -179.264 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.502 ' CD1' ' CD1' ' B' ' 17' ' ' TYR . 1.2 mm? -52.92 -32.58 46.33 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.936 0.398 . . . . 0.0 111.48 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.588 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 1.5 mt -58.97 -53.21 50.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.695 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -83.83 -8.27 59.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.419 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 5.8 t-20 -97.66 -18.49 18.85 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.967 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -150.08 42.38 0.85 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.588 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 59.6 mt . . . . . 0 N--CA 1.464 0.268 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.852 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.449 ' O ' ' HB2' ' B' ' 49' ' ' GLU . 6.2 mtmt . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.74 0.305 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' B' ' 48' ' ' LYS . 6.6 tt0 174.32 175.16 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.724 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -16.72 61.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.092 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -81.4 -40.0 24.1 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.211 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.442 ' O ' ' CG2' ' B' ' 56' ' ' VAL . 14.5 m -64.66 -38.34 82.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.493 ' HA ' HG22 ' B' ' 56' ' ' VAL . 73.9 t -64.66 -51.29 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.104 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.3 -32.92 18.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.255 0.55 . . . . 0.0 109.712 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.1 OUTLIER -85.3 -30.75 23.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.448 178.361 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' B' ' 53' ' ' VAL . 54.7 t -61.23 -48.21 90.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.642 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.8 ptp -68.2 -39.36 82.46 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -32.79 74.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.121 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.489 ' N ' ' O ' ' B' ' 55' ' ' LYS . 33.6 m -77.02 -20.24 56.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.054 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.486 ' CD1' ' CD1' ' B' ' 76' ' ' PHE . 7.3 mt -98.73 -17.74 18.37 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.008 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -40.66 93.26 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.108 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.5 -31.5 9.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.419 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 179.15 38.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.65 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.75 5.7 22.51 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.915 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 63.09 24.71 14.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.616 0.246 . . . . 0.0 111.25 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.71 18.32 11.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.642 -0.79 . . . . 0.0 113.053 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.26 159.52 32.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.704 0.288 . . . . 0.0 110.434 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.428 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.5 OUTLIER -101.0 86.51 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.571 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.702 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -74.31 -175.06 2.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.971 0.415 . . . . 0.0 110.375 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.572 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -63.19 -35.6 80.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.767 -179.517 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.426 ' O ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -74.2 -26.32 60.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.282 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.87 -38.46 45.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.301 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' B' ' 73' ' ' PHE . 0.1 OUTLIER -73.44 -31.92 64.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.564 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.431 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 6.7 mmm -61.86 -60.9 2.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' B' ' 79' ' ' MET . . . -60.5 -23.61 64.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.658 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.486 ' CD1' ' CD1' ' B' ' 60' ' ' LEU . 20.8 t80 -67.37 -71.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.903 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.453 ' O ' ' CG2' ' B' ' 81' ' ' THR . 22.9 t -45.53 -29.96 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.128 0.49 . . . . 0.0 110.669 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.426 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -86.0 -44.65 12.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.947 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' B' ' 76' ' ' PHE . 0.0 OUTLIER -69.56 -41.46 75.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.325 0.583 . . . . 0.0 110.499 -179.499 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' B' ' 76' ' ' PHE . 57.7 t -64.68 -42.98 96.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.766 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' B' ' 77' ' ' VAL . 53.6 p -73.27 -49.17 29.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' B' ' 78' ' ' ALA . 12.9 p -46.4 -31.71 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.856 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -80.55 -68.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -53.73 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.449 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 6.2 t60 -47.33 -20.27 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.939 0.399 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.46 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 30.2 tt0 -55.12 -65.66 0.54 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.019 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.19 -13.8 6.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.799 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 . . . . . 0 N--CA 1.451 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.615 179.456 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.693 0.282 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.72 -4.75 32.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.597 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' C' ' 5' ' ' ILE . 0.5 OUTLIER -83.23 -1.07 52.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.857 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.68 HD13 ' C ' ' C' ' 5' ' ' ILE . 1.9 pp 56.92 -13.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.125 0.97 . . . . 0.0 113.31 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' C' ' 4' ' ' LYS . 4.2 t70 43.41 59.98 2.79 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.501 ' HD1' ' O ' ' C' ' 5' ' ' ILE . 10.9 m0 -98.7 -68.99 0.78 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' C' ' 12' ' ' SER . 0.8 OUTLIER 159.58 -95.88 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.311 178.51 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.431 ' H ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER -98.21 -39.38 8.89 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 -178.679 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.492 HG23 ' CE3' ' C' ' 7' ' ' TRP . 0.0 OUTLIER -54.32 -59.72 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -177.451 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.466 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 1.0 OUTLIER -94.6 -18.37 21.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.074 0.464 . . . . 0.0 110.315 179.541 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 53.1 p . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.194 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.671 0.272 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.45 -71.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.8 -4.71 32.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.543 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.62 ' O ' ' CD1' ' D' ' 5' ' ' ILE . 0.5 OUTLIER -83.32 -1.05 52.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.752 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.677 HD13 ' C ' ' D' ' 5' ' ' ILE . 1.9 pp 56.94 -13.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.103 0.961 . . . . 0.0 113.362 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.583 ' H ' ' C ' ' D' ' 4' ' ' LYS . 4.3 t70 43.43 59.9 2.82 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.499 ' CD1' ' CD1' ' D' ' 5' ' ' ILE . 10.9 m0 -98.7 -68.9 0.78 Allowed 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' D' ' 12' ' ' SER . 0.8 OUTLIER 159.51 -95.84 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.307 178.445 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . 0.425 ' H ' HG22 ' B' ' 59' ' ' THR . 0.1 OUTLIER -98.21 -39.44 8.86 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.732 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.49 HG23 ' CE3' ' D' ' 7' ' ' TRP . 0.0 OUTLIER -54.23 -59.65 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -177.474 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.471 ' N ' ' CG2' ' D' ' 10' ' ' ILE . 1.0 OUTLIER -94.55 -18.46 21.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.045 0.45 . . . . 0.0 110.323 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 53.0 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.235 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.802 0.334 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -56.09 -23.72 35.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.403 ' CD2' ' CE ' ' A' ' 7' ' ' MET . 1.3 tt -66.91 -49.95 63.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -74.64 -38.47 62.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -67.36 -49.65 63.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.266 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.02 -51.92 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.533 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.705 ' O ' HG12 ' A' ' 11' ' ' ILE . 7.4 ptp -50.86 -49.13 59.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.682 0.277 . . . . 0.0 110.785 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.518 ' N ' ' HG3' ' A' ' 7' ' ' MET . 52.0 t -78.42 -23.64 13.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.513 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.6 85.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.268 0.556 . . . . 0.0 109.838 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HG ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -72.0 -40.29 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.765 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.705 HG12 ' O ' ' A' ' 7' ' ' MET . 3.0 mm -62.26 -43.57 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.12 -43.82 20.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.772 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.0 -41.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.398 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -77.48 -27.95 52.13 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.673 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.452 ' CD2' HG21 ' A' ' 11' ' ' ILE . 24.3 m-70 -73.32 -24.52 60.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.813 0.339 . . . . 0.0 111.311 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.81 -52.25 5.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.76 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CD2' HD11 ' A' ' 35' ' ' LEU . 5.1 m-85 -83.75 -57.88 3.03 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 14' ' ' PHE . 3.3 t -36.37 -33.81 0.05 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.078 -1.058 . . . . 0.0 113.233 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.808 0.337 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 12.0 t-160 179.85 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HA ' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -111.47 156.81 21.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.725 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 4.8 mp -134.36 139.43 45.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 11.6 pttt -109.64 -178.39 3.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.243 0.544 . . . . 0.0 112.093 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB2' ' HE2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -45.6 -33.78 3.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.542 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -61.9 1.77 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.298 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 3.2 mp0 -65.85 -59.13 4.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.779 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.84 -70.25 0.11 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.552 ' HD2' ' HB ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -53.24 -28.26 26.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 111.339 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -60.45 -64.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.847 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HA ' ' HB3' ' A' ' 38' ' ' ASN . 1.3 mm? -46.53 -32.31 3.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.999 0.428 . . . . 0.0 111.198 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 1.4 mt -53.27 -64.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.726 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.67 -7.94 59.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.716 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.499 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 4.6 t30 -86.16 -32.72 21.1 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.646 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 56.31 0.47 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.574 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 13.1 mt . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.728 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.498 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.608 0.242 . . . . 0.0 111.572 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' O ' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER 170.31 178.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 0.0 111.29 -179.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -76.95 -18.26 58.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.819 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.08 -40.03 24.76 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.079 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 49' ' ' GLU . 26.5 m -62.42 -44.83 99.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.552 ' HB ' ' HD2' ' A' ' 33' ' ' LYS . 55.7 t -67.04 -47.81 81.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.224 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.04 -37.55 46.05 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HB3' ' CG1' ' C' ' 10' ' ' ILE . 14.0 ttmt -79.51 -35.6 39.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.918 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.524 HG21 ' HA ' ' A' ' 53' ' ' VAL . 53.1 t -56.62 -55.69 18.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.019 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -32.31 70.66 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.37 -33.7 74.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.369 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.508 ' CG2' ' HB2' ' C' ' 8' ' ' ASN . 0.2 OUTLIER -64.64 -24.13 67.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.247 179.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 76' ' ' PHE . 2.8 mt -106.91 -9.89 16.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.431 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -44.11 95.16 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 111.269 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -71.22 -61.63 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.694 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.4 39.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.32 -56.64 0.87 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.232 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.24 33.46 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.28 . . . . 0.0 111.651 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 2.88 59.27 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.952 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HB3' ' HG3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -96.25 -176.81 3.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.447 0.624 . . . . 0.0 110.46 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -112.53 86.64 2.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.444 -179.497 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 8.8 p-10 -85.66 -175.32 5.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' B' ' 86' ' ' GLU . 0.0 OUTLIER -61.06 -32.17 71.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.007 0.432 . . . . 0.0 110.758 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -61.17 -36.12 78.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.067 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -76.74 -30.81 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.372 179.676 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -51.86 -50.12 61.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.377 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.41 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 10.1 mmm -65.63 -62.63 1.4 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.499 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.47 -27.91 2.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.035 0.445 . . . . 0.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.481 ' HA ' HD21 ' A' ' 60' ' ' LEU . 48.8 t80 -74.12 -74.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.2 p -54.79 -31.22 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.815 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.418 ' CB ' ' CB ' ' B' ' 78' ' ' ALA . . . -70.96 -50.21 37.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.333 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.8 mtm -74.54 -60.9 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.238 0.542 . . . . 0.0 111.134 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.456 HG13 ' CE2' ' C' ' 7' ' ' TRP . 62.6 t -43.08 -46.93 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.087 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 85' ' ' HIS . 1.4 t -70.1 -48.38 57.84 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.153 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.428 ' N ' ' CG2' ' A' ' 81' ' ' THR . 1.2 p -51.19 -27.25 8.36 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -82.44 -67.65 0.77 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 p -86.96 -51.25 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.483 ' CB ' ' OG1' ' A' ' 81' ' ' THR . 6.6 t60 -49.54 -23.45 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.063 0.459 . . . . 0.0 110.797 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.501 ' HA ' ' CE1' ' B' ' 70' ' ' PHE . 30.5 tt0 -49.15 -64.63 0.75 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.416 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.73 -25.17 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 179.097 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -56.16 -23.6 35.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.403 ' CD2' ' CE ' ' B' ' 7' ' ' MET . 1.3 tt -66.96 -49.95 63.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.68 -38.47 62.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -67.27 -49.74 63.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.285 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -51.98 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.556 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.699 ' O ' HG12 ' B' ' 11' ' ' ILE . 7.4 ptp -50.87 -49.16 59.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.632 0.253 . . . . 0.0 110.775 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.504 ' N ' ' HG3' ' B' ' 7' ' ' MET . 52.6 t -78.45 -23.53 13.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.508 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.57 86.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.235 0.54 . . . . 0.0 109.784 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.439 ' HG ' HD12 ' B' ' 11' ' ' ILE . 1.5 pp -71.9 -40.41 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.79 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.699 HG12 ' O ' ' B' ' 7' ' ' MET . 2.9 mm -62.21 -43.54 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.11 -43.78 20.79 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.796 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -57.08 -41.24 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.416 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -77.47 -27.97 52.18 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.631 179.574 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.448 ' CD2' HG21 ' B' ' 11' ' ' ILE . 24.3 m-70 -73.42 -24.37 60.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.343 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.97 -52.12 5.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.702 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.498 ' CD2' HD11 ' B' ' 35' ' ' LEU . 5.2 m-85 -83.78 -57.86 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -178.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 14' ' ' PHE . 3.3 t -36.26 -33.92 0.05 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.139 -1.029 . . . . 0.0 113.213 -179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.789 0.328 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 12.1 t-160 179.93 -34.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.532 ' HA ' ' HB3' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -111.41 156.81 21.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.735 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' B' ' 68' ' ' CYS . 4.8 mp -134.32 139.37 45.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.823 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 11.5 pttt -109.69 -178.4 3.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.256 0.55 . . . . 0.0 112.074 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.508 ' HB2' ' HE2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -45.59 -33.78 3.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.553 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -61.87 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 3.2 mp0 -65.88 -59.18 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.759 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.75 -70.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.566 ' HD2' ' HB ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -53.32 -28.13 26.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.892 0.377 . . . . 0.0 111.346 -179.609 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.445 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -60.5 -64.13 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.838 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.498 HD11 ' CD2' ' B' ' 17' ' ' TYR . 1.3 mm? -46.57 -32.33 3.36 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.097 0.475 . . . . 0.0 111.213 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 1.4 mt -53.18 -64.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.677 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.62 -7.89 59.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.496 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 4.6 t30 -86.29 -32.64 20.97 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.672 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 56.38 0.47 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.575 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 13.0 mt . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.646 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.501 ' HB2' ' CG1' ' B' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.615 0.245 . . . . 0.0 111.582 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.491 ' O ' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER 170.28 178.41 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.107 0.479 . . . . 0.0 111.272 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.94 -18.21 58.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.797 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.05 -40.13 24.68 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.032 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' B' ' 48' ' ' LYS . 26.0 m -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.566 ' HB ' ' HD2' ' B' ' 33' ' ' LYS . 54.9 t -66.9 -47.85 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.244 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.04 -37.51 45.79 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.433 ' HB3' ' CG1' ' D' ' 10' ' ' ILE . 14.1 ttmt -79.52 -35.6 39.77 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.241 -0.891 . . . . 0.0 108.921 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.509 HG21 ' HA ' ' B' ' 53' ' ' VAL . 52.9 t -56.49 -55.71 17.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.066 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -32.3 70.68 Favored 'General case' 0 CA--C 1.523 -0.096 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.34 -33.62 74.63 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.465 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' D' ' 8' ' ' ASN . 0.2 OUTLIER -64.66 -24.09 67.47 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.269 178.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' B' ' 76' ' ' PHE . 2.8 mt -106.99 -9.93 16.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.367 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -44.09 95.08 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.912 0.387 . . . . 0.0 111.338 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -71.18 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.33 39.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.24 -56.5 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.254 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.2 33.28 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.684 0.278 . . . . 0.0 111.7 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.08 2.95 59.49 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.839 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.487 ' HB3' ' HG3' ' B' ' 26' ' ' LYS . 0.1 OUTLIER -96.19 -176.79 3.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 117.545 0.672 . . . . 0.0 110.411 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.502 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -112.57 86.63 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.458 -179.612 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.532 ' HB3' ' HA ' ' B' ' 26' ' ' LYS . 8.9 p-10 -85.59 -175.34 5.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -60.97 -32.25 71.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.997 0.427 . . . . 0.0 110.776 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -61.1 -36.23 79.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.985 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' B' ' 60' ' ' LEU . 0.6 OUTLIER -76.74 -30.83 56.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.315 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -51.93 -50.06 61.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.397 179.29 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.408 ' CE ' HG23 ' A' ' 81' ' ' THR . 10.1 mmm -65.7 -62.56 1.44 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.506 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.53 -27.91 3.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.953 0.406 . . . . 0.0 110.877 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.493 ' HA ' HD21 ' B' ' 60' ' ' LEU . 48.9 t80 -74.1 -74.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.1 p -54.78 -31.11 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.418 ' CB ' ' CB ' ' A' ' 78' ' ' ALA . . . -71.01 -50.11 37.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.423 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.8 mtm -74.59 -60.91 2.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.162 0.506 . . . . 0.0 111.162 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.445 HG13 ' CE2' ' D' ' 7' ' ' TRP . 63.1 t -43.08 -46.89 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.123 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.471 ' OG1' ' CB ' ' B' ' 85' ' ' HIS . 1.4 t -70.14 -48.23 58.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.197 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.429 ' N ' ' CG2' ' B' ' 81' ' ' THR . 1.2 p -51.34 -27.16 8.96 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.531 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -82.46 -67.67 0.77 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 8.3 p -86.92 -51.26 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.471 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 6.6 t60 -49.6 -23.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.013 0.435 . . . . 0.0 110.72 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.498 ' HA ' ' CE1' ' A' ' 70' ' ' PHE . 30.5 tt0 -49.02 -64.77 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.411 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.66 -25.18 5.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.462 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.077 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 66.9 p -98.41 -1.5 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.365 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.573 ' O ' HG12 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -82.53 -2.02 52.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.923 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.573 HG12 ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 47.2 10.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 123.445 0.698 . . . . 0.0 112.81 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' C' ' 4' ' ' LYS . 46.3 t0 53.59 17.4 1.17 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.539 ' O ' ' CB ' ' C' ' 8' ' ' ASN . 19.6 m95 -71.52 -69.85 0.36 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.692 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' C' ' 7' ' ' TRP . 6.7 m-20 146.86 -96.1 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.299 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.429 ' H ' HG21 ' A' ' 59' ' ' THR . 1.9 tmtt? -97.93 -44.2 6.78 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' C' ' 11' ' ' LEU . 0.1 OUTLIER -53.8 -58.83 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -177.634 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 2.4 mp -93.44 -15.74 25.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.919 0.39 . . . . 0.0 110.645 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.498 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 49.1 p . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.212 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.79 0.329 . . . . 0.0 111.335 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -57.65 -71.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 67.5 p -98.45 -1.54 41.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.345 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.561 ' O ' HG12 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -82.53 -2.01 52.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.927 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.561 HG12 ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 47.3 9.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.389 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' D' ' 4' ' ' LYS . 46.2 t0 53.63 17.29 1.16 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.524 ' O ' ' CB ' ' D' ' 8' ' ' ASN . 19.7 m95 -71.4 -69.9 0.35 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.806 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' D' ' 7' ' ' TRP . 6.6 m-20 146.88 -95.95 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.292 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . 0.424 ' H ' HG21 ' B' ' 59' ' ' THR . 1.9 tmtt? -97.99 -44.3 6.71 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.513 ' CG2' ' N ' ' D' ' 11' ' ' LEU . 0.1 OUTLIER -53.78 -58.81 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -177.613 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.513 ' N ' ' CG2' ' D' ' 10' ' ' ILE . 2.4 mp -93.45 -15.62 25.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 49.3 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.179 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.811 0.338 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.43 -36.09 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.212 0.529 . . . . 0.0 110.861 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.461 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 3.9 mt -59.04 -25.07 63.39 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -81.06 -46.93 14.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -42.92 41.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.104 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.94 78.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.963 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.491 ' O ' HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -61.91 -62.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.462 ' HA ' HG12 ' A' ' 11' ' ' ILE . 24.3 t -69.51 -22.09 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.751 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.34 89.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.397 0.617 . . . . 0.0 109.832 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.431 ' CD1' HD12 ' A' ' 11' ' ' ILE . 1.1 pp -70.43 -38.16 74.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.646 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 7' ' ' MET . 5.3 mm -62.83 -41.29 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.21 -40.92 35.42 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.57 -43.16 82.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.487 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.519 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -78.1 -37.29 46.75 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.368 179.474 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.495 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -68.54 -16.2 63.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.235 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.15 -51.86 6.73 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.277 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 5.6 m-85 -83.49 -56.32 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.376 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' PHE . 8.5 t -56.36 -40.73 75.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.031 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.807 0.336 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 23.6 t-160 -155.13 41.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.538 ' HG2' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -166.64 155.37 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.88 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.599 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 3.0 mp -136.75 138.98 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.59 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -112.5 -173.43 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.183 0.516 . . . . 0.0 112.274 -178.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -51.34 -24.94 5.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.428 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.5 m -78.62 -55.89 4.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.943 0.401 . . . . 0.0 110.522 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -68.68 -59.97 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.124 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.34 -69.51 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.621 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.607 ' HG3' HG12 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -48.61 -32.29 7.95 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 111.157 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -63.17 -62.77 1.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.52 -179.44 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.524 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 1.3 mm? -46.95 -34.16 5.27 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.039 0.447 . . . . 0.0 111.169 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mt -52.28 -66.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.341 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -73.46 -17.04 61.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.574 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.42 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 16.0 t30 -71.63 -53.32 14.05 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.576 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HG2' ' C ' ' A' ' 38' ' ' ASN . 8.5 mm-40 -154.85 61.49 0.66 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.187 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.553 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.635 ' HB2' HG22 ' A' ' 52' ' ' VAL . 7.1 mtmm . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.468 ' N ' HG21 ' A' ' 52' ' ' VAL . 2.5 mt-10 166.11 172.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.734 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -21.34 62.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.894 0.378 . . . . 0.0 110.506 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -80.1 -41.19 26.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 48' ' ' LYS . 13.7 m -63.65 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.607 HG12 ' HG3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -65.49 -43.78 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.31 -33.1 52.02 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -86.96 -30.11 21.54 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.249 178.133 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.535 ' HB ' ' HA ' ' A' ' 53' ' ' VAL . 74.3 t -64.88 -51.35 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.1 mtp -61.0 -44.99 96.62 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.87 -36.52 83.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.579 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.553 ' CG2' ' HB3' ' C' ' 8' ' ' ASN . 16.5 m -79.58 -15.73 57.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.959 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.534 ' CD2' ' HB2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -91.86 -49.98 5.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.1 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -43.94 119.0 1.6 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.717 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -90.45 -51.91 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.58 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 178.03 44.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 65' ' ' ASP . . . -98.78 -60.7 0.88 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.054 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 45.0 p30 174.44 30.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.626 0.251 . . . . 0.0 111.314 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.07 -14.89 57.85 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.395 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.464 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -91.85 178.01 6.02 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.05 0.452 . . . . 0.0 110.585 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.599 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -117.98 86.2 2.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.406 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.538 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 6.0 p-10 -79.68 -168.87 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.424 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' B' ' 82' ' ' THR . 0.6 OUTLIER -63.0 -34.51 77.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.967 0.413 . . . . 0.0 110.588 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -38.12 73.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.49 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -75.79 -24.46 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.423 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.519 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -60.73 -65.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.728 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.46 ' HB3' ' HA ' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -55.75 -44.79 77.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.279 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -59.34 -40.92 87.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.208 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.534 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . 51.4 t80 -65.23 -74.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.705 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -44.03 -31.49 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.245 0.545 . . . . 0.0 110.65 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.479 ' HA ' ' HB3' ' B' ' 74' ' ' MET . . . -85.31 -33.43 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.145 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.504 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -85.68 -39.46 17.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.49 . . . . 0.0 111.456 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.504 ' N ' ' HG3' ' A' ' 79' ' ' MET . 27.2 t -68.54 -49.76 62.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.659 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -71.54 -51.02 25.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.1 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.538 ' HA ' ' CZ ' ' B' ' 70' ' ' PHE . 35.1 m -47.97 -30.14 4.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.679 0.276 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -72.42 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.761 0.315 . . . . 0.0 111.315 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 88' ' ' PHE . 10.9 p -87.78 -49.19 7.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 81' ' ' THR . 35.5 t60 -47.34 -24.03 0.69 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.88 0.372 . . . . 0.0 110.992 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' ' CE2' ' B' ' 70' ' ' PHE . 27.9 tt0 -50.82 -65.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.758 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.89 -18.52 7.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.459 ' CZ ' ' HB ' ' C' ' 3' ' ' THR . 21.9 m-85 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.691 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.91 0.386 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -60.46 -35.94 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.267 0.555 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.429 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 3.9 mt -59.08 -25.19 63.57 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -81.05 -46.9 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -42.94 41.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.091 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.26 -35.93 78.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.989 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.491 ' O ' HG12 ' B' ' 11' ' ' ILE . 1.0 OUTLIER -61.98 -62.95 1.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.425 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.441 ' HA ' HG12 ' B' ' 11' ' ' ILE . 23.9 t -69.5 -22.08 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.769 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -43.19 89.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.397 0.618 . . . . 0.0 109.847 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.43 ' CD1' HD12 ' B' ' 11' ' ' ILE . 1.1 pp -70.52 -38.22 74.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.644 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.491 HG12 ' O ' ' B' ' 7' ' ' MET . 5.3 mm -62.65 -41.5 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.01 -40.98 33.06 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 30.1 t -57.61 -43.12 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.512 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.52 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -78.17 -37.29 46.15 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.284 179.469 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.49 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -68.55 -16.21 63.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.15 -51.83 6.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.51 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 5.6 m-85 -83.58 -56.4 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' B' ' 14' ' ' PHE . 8.5 t -56.27 -40.8 74.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.289 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.224 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.875 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 23.6 t-160 -155.1 41.79 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.541 ' HG2' ' HB3' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -166.6 155.38 10.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.909 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' B' ' 68' ' ' CYS . 2.9 mp -136.69 139.06 41.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.562 179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.446 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -112.6 -173.51 2.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.22 0.533 . . . . 0.0 112.219 -178.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -51.11 -25.11 4.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.481 -179.794 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 62.8 m -78.46 -55.99 4.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.987 0.422 . . . . 0.0 110.587 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 0.8 OUTLIER -68.62 -60.03 2.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.096 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.26 -69.5 0.13 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.686 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.591 ' HG3' HG12 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -48.57 -32.46 8.11 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 111.074 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -63.04 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.5 -179.402 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.51 ' CD1' ' CD1' ' B' ' 17' ' ' TYR . 1.3 mm? -46.88 -34.26 5.26 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.087 0.47 . . . . 0.0 111.209 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.436 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 1.4 mt -52.18 -66.69 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.392 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -73.47 -17.01 61.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.624 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.415 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 16.0 t30 -71.71 -53.24 14.12 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.576 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' C ' ' B' ' 38' ' ' ASN . 8.6 mm-40 -154.79 61.43 0.66 Allowed 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' B' ' 36' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.199 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.604 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.643 ' HB2' HG22 ' B' ' 52' ' ' VAL . 7.1 mtmm . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.458 ' O ' ' CG2' ' B' ' 53' ' ' VAL . 2.5 mt-10 166.1 172.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.319 . . . . 0.0 110.665 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -21.24 62.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.534 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -80.21 -41.19 25.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.643 HG22 ' HB2' ' B' ' 48' ' ' LYS . 13.6 m -63.67 -40.13 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.591 HG12 ' HG3' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -65.46 -43.87 94.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.842 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.29 -33.03 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -87.06 -30.14 21.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.233 178.103 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.509 ' HB ' ' HA ' ' B' ' 53' ' ' VAL . 75.0 t -64.75 -51.46 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 26.0 mtp -60.88 -45.04 96.14 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.73 -36.69 83.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.562 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.534 ' CG2' ' HB3' ' D' ' 8' ' ' ASN . 16.5 m -79.47 -15.78 57.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.923 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.528 ' CD2' ' HB2' ' B' ' 76' ' ' PHE . 0.3 OUTLIER -91.89 -49.99 5.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.057 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -43.95 119.02 1.6 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.689 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -90.46 -51.83 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.648 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.99 44.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' B' ' 65' ' ' ASP . . . -98.85 -60.71 0.88 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.043 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' B' ' 64' ' ' GLY . 44.9 p30 174.43 31.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.544 0.211 . . . . 0.0 111.18 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.11 -14.96 57.72 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.314 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.446 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -91.86 178.08 6.0 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 117.126 0.463 . . . . 0.0 110.626 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.602 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 0.5 OUTLIER -118.06 86.13 2.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.387 179.697 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.541 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 6.0 p-10 -79.57 -168.84 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 82' ' ' THR . 0.6 OUTLIER -63.04 -34.5 77.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.914 0.388 . . . . 0.0 110.572 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -38.17 73.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.414 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 22.3 mm-40 -75.77 -24.35 56.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.362 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -60.84 -65.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.745 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.479 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -55.72 -44.78 77.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.252 -179.697 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -59.47 -40.88 88.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.182 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.528 ' HB2' ' CD2' ' B' ' 60' ' ' LEU . 51.5 t80 -65.26 -74.76 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.65 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -44.1 -31.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 121.194 0.521 . . . . 0.0 110.579 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 74' ' ' MET . . . -85.3 -33.45 22.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.159 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.511 ' HG3' ' N ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER -85.77 -39.41 17.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 111.361 -179.36 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.511 ' N ' ' HG3' ' B' ' 79' ' ' MET . 27.9 t -68.61 -49.7 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.619 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -71.53 -50.99 25.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.054 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 70' ' ' PHE . 36.0 m -48.07 -30.0 4.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.717 0.294 . . . . 0.0 111.032 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.46 -72.32 0.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.27 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.8 p -87.88 -49.16 7.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' B' ' 81' ' ' THR . 35.7 t60 -47.3 -23.98 0.67 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 111.031 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.501 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 27.9 tt0 -50.92 -65.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.814 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.01 -18.48 6.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.459 ' CZ ' ' HB ' ' D' ' 3' ' ' THR . 21.9 m-85 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.683 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.829 0.347 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' THR . . . . . 0.459 ' HB ' ' CZ ' ' A' ' 88' ' ' PHE . 3.9 t -98.32 -3.33 37.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.451 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.64 ' O ' ' CD1' ' C' ' 5' ' ' ILE . 4.8 tmtt? -80.55 -1.51 42.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.075 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.695 ' C ' HD12 ' C' ' 5' ' ' ILE . 1.8 pp 55.09 -8.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' C' ' 4' ' ' LYS . 13.3 t0 39.94 57.23 2.35 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.621 ' O ' ' HB2' ' C' ' 8' ' ' ASN . 8.6 m95 -93.86 -69.07 0.77 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.621 ' HB2' ' O ' ' C' ' 7' ' ' TRP . 18.3 t-20 165.15 -103.26 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.05 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.93 -34.18 10.55 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.518 HG23 ' CE3' ' C' ' 7' ' ' TRP . 0.0 OUTLIER -54.47 -60.04 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -177.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.524 ' CD2' HG12 ' C' ' 5' ' ' ILE . 1.0 OUTLIER -95.31 -22.84 17.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.164 0.507 . . . . 0.0 110.11 179.441 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 20.7 p . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.023 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.741 0.305 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -56.67 -71.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.757 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' THR . . . . . 0.459 ' HB ' ' CZ ' ' B' ' 88' ' ' PHE . 3.9 t -98.36 -3.31 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.41 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.638 ' O ' ' CD1' ' D' ' 5' ' ' ILE . 4.8 tmtt? -80.52 -1.59 42.52 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.032 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.7 ' C ' HD12 ' D' ' 5' ' ' ILE . 1.8 pp 55.12 -8.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' D' ' 4' ' ' LYS . 13.4 t0 40.03 57.22 2.4 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.607 ' O ' ' HB2' ' D' ' 8' ' ' ASN . 8.6 m95 -93.85 -69.06 0.77 Allowed 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.607 ' HB2' ' O ' ' D' ' 7' ' ' TRP . 18.3 t-20 165.18 -103.35 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.95 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.76 -34.21 10.6 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.506 HG23 ' CE3' ' D' ' 7' ' ' TRP . 0.0 OUTLIER -54.47 -59.99 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.525 ' CD2' HG12 ' D' ' 5' ' ' ILE . 1.0 OUTLIER -95.38 -22.83 17.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.184 0.516 . . . . 0.0 110.099 179.555 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 20.4 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.065 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.768 0.318 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -55.67 -37.3 68.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.144 0.497 . . . . 0.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.471 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 2.0 mp -53.68 -36.58 62.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.974 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.83 -35.45 67.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.749 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -77.23 -37.64 52.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' B' ' 6' ' ' ALA . . . -64.64 -35.28 80.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.534 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -67.2 -50.56 60.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.572 ' HA ' HG13 ' A' ' 11' ' ' ILE . 22.0 t -76.22 -27.39 17.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.691 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -42.46 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 109.27 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.93 -53.4 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.325 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.572 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 mt -51.53 -53.61 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.98 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.42 -37.64 1.65 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.051 0.453 . . . . 0.0 110.358 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 35' ' ' LEU . 38.4 t -67.44 -48.28 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.539 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.586 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -76.15 -25.99 55.83 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.775 0.322 . . . . 0.0 111.115 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -81.01 -18.17 47.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.17 -179.71 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -83.59 -41.57 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.307 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.454 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 2.0 m-85 -83.07 -70.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.498 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 1.2 t -59.49 125.73 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.369 179.866 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 1.1 tmtp? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.678 0.275 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 12.8 t-160 83.48 -36.03 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.709 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.98 163.67 13.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.81 0.338 . . . . 0.0 110.391 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 4.9 mp -136.31 141.08 43.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.549 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -102.64 174.36 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.959 0.409 . . . . 0.0 111.617 -179.225 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -48.76 -27.83 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.756 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 1.9 m -79.57 -47.9 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.733 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 5.9 mm-40 -62.74 -68.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.314 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.96 -68.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.893 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HG3' ' CG1' ' A' ' 53' ' ' VAL . 12.6 ttmt -44.98 -66.41 0.4 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.926 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 30' ' ' SER . 11.9 mm-40 -46.74 -43.12 17.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.454 ' HG ' ' CE1' ' A' ' 17' ' ' TYR . 1.2 tt -60.38 -45.45 93.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.275 0.56 . . . . 0.0 110.378 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.408 HG21 ' CD1' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -54.7 -58.16 4.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.084 179.624 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . 0.403 ' N ' HG22 ' A' ' 36' ' ' ILE . 2.9 t-20 -61.03 -20.11 62.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.239 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -82.92 -34.21 26.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.028 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -114.49 21.34 14.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.639 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.408 ' CD1' HG21 ' A' ' 36' ' ' ILE . 28.0 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HG2' HG23 ' A' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.689 0.28 . . . . 0.0 110.728 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -177.15 173.97 1.73 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.468 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.41 -34.81 58.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.994 0.425 . . . . 0.0 110.667 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.27 -41.85 80.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.276 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 49' ' ' GLU . 25.2 m -61.19 -44.74 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.159 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.456 ' CG1' ' HG3' ' A' ' 33' ' ' LYS . 2.0 t -52.8 -49.01 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.8 0.333 . . . . 0.0 110.667 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -52.05 -48.36 64.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.092 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -68.76 -31.84 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.719 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.41 HG23 HG13 ' C' ' 10' ' ' ILE . 93.1 t -63.64 -59.13 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.935 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.66 -24.02 54.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.015 0.436 . . . . 0.0 110.001 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -37.83 28.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.402 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.465 HG23 ' HB3' ' C' ' 8' ' ' ASN . 26.2 m -74.06 -7.36 52.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.089 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 76' ' ' PHE . 1.5 mt -113.0 -12.55 13.21 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.74 125.83 10.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.733 0.302 . . . . 0.0 110.594 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.28 -51.66 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.252 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.95 44.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.905 0.383 . . . . 0.0 111.148 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.95 7.66 21.62 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.366 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.56 24.59 13.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.926 0.393 . . . . 0.0 110.481 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.88 -20.2 5.74 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.356 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -90.93 -179.83 5.58 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.023 0.439 . . . . 0.0 110.456 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.444 ' O ' HD11 ' A' ' 27' ' ' LEU . 1.7 m -120.92 104.44 9.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.709 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -94.68 -176.97 4.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.322 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 29.9 t80 -58.94 -18.97 38.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.243 0.545 . . . . 0.0 110.494 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.91 -41.57 97.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.73 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 1.5 pp20? -78.2 -21.06 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.414 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.78 -51.84 66.03 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.445 ' HB3' ' CB ' ' B' ' 78' ' ' ALA . 21.0 mmt -63.48 -53.39 52.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.1 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.23 -33.45 65.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.67 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.483 ' HA ' HD23 ' A' ' 60' ' ' LEU . 57.7 t80 -65.85 -75.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.575 ' O ' ' HB ' ' A' ' 81' ' ' THR . 0.9 OUTLIER -52.26 -26.01 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.039 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' B' ' 74' ' ' MET . . . -82.59 -46.36 13.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.9 mtm -70.62 -54.0 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 0.0 110.575 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.465 ' HA ' ' CD1' ' C' ' 7' ' ' TRP . 85.7 t -56.04 -42.06 70.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.985 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.575 ' HB ' ' O ' ' A' ' 77' ' ' VAL . 3.4 m -65.97 -60.96 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.601 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -42.94 -29.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.599 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' C' ' 5' ' ' ILE . . . -77.4 -72.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.409 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 4.5 p -89.38 -56.01 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.498 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 6.5 t60 -43.4 -26.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.118 0.485 . . . . 0.0 110.957 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -49.73 -64.08 0.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.553 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.15 -26.36 8.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.788 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.561 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.725 0.298 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.469 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.7 OUTLIER -55.66 -37.23 68.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.06 0.457 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.469 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 2.0 mp -53.7 -36.6 62.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.81 -35.49 67.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.734 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -77.25 -37.69 52.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . . . -64.57 -35.22 80.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.534 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -67.17 -50.77 59.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.574 ' HA ' HG13 ' B' ' 11' ' ' ILE . 22.0 t -76.13 -27.37 17.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.691 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.92 -42.42 79.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.61 0.719 . . . . 0.0 109.246 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.12 -53.25 52.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.29 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.574 HG13 ' HA ' ' B' ' 8' ' ' VAL . 1.4 mt -51.53 -53.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.968 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.31 -37.72 1.61 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.055 0.455 . . . . 0.0 110.327 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.412 HG11 HD12 ' B' ' 35' ' ' LEU . 38.3 t -67.52 -48.14 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.517 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.59 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -76.29 -25.94 55.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 111.097 -179.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -81.02 -18.16 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.208 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -83.62 -41.52 17.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 110.352 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.448 ' CE1' ' HG ' ' B' ' 35' ' ' LEU . 2.0 m-85 -83.12 -70.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.17 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.498 ' HB2' ' HG ' ' B' ' 27' ' ' LEU . 1.2 t -59.53 125.75 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.968 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.44 179.904 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 1.1 tmtp? . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.705 0.288 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.428 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 12.8 t-160 83.5 -36.02 0.07 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.517 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.69 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.0 163.67 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.341 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' B' ' 18' ' ' SER . 4.9 mp -136.26 141.18 43.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.528 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.435 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.2 OUTLIER -102.79 174.3 5.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.958 0.409 . . . . 0.0 111.567 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -48.62 -27.82 3.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.806 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 1.9 m -79.6 -47.93 14.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.723 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 5.9 mm-40 -62.78 -68.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 111.273 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.92 -68.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.879 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.452 ' HG3' ' CG1' ' B' ' 53' ' ' VAL . 12.7 ttmt -44.98 -66.3 0.42 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.921 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' B' ' 30' ' ' SER . 12.0 mm-40 -46.89 -43.0 18.43 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.887 0.375 . . . . 0.0 110.949 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.448 ' HG ' ' CE1' ' B' ' 17' ' ' TYR . 1.2 tt -60.47 -45.41 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.353 0.597 . . . . 0.0 110.387 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.421 HG22 ' N ' ' B' ' 37' ' ' ASN . 0.9 OUTLIER -54.69 -58.24 4.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.055 179.572 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . 0.421 ' N ' HG22 ' B' ' 36' ' ' ILE . 2.9 t-20 -61.03 -19.98 62.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.306 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -82.99 -34.11 26.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.034 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.58 21.36 14.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.633 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.41 ' CD1' HG21 ' B' ' 36' ' ' ILE . 27.8 mt . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.76 0.314 . . . . 0.0 110.84 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.761 0.315 . . . . 0.0 110.772 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.468 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -177.21 173.93 1.71 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.386 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.36 -34.81 58.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 110.661 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.33 -41.81 80.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.304 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.468 HG22 ' O ' ' B' ' 49' ' ' GLU . 24.8 m -61.21 -44.83 99.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.078 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.452 ' CG1' ' HG3' ' B' ' 33' ' ' LYS . 2.0 t -52.79 -49.06 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.746 0.308 . . . . 0.0 110.7 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -51.93 -48.31 64.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.911 0.386 . . . . 0.0 110.191 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -68.71 -31.94 71.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.734 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.414 HG23 HG13 ' D' ' 10' ' ' ILE . 92.9 t -63.6 -59.23 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.833 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -24.01 54.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.031 0.443 . . . . 0.0 110.029 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.97 -37.67 28.93 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.399 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.466 HG23 ' HB3' ' D' ' 8' ' ' ASN . 26.2 m -74.12 -7.39 52.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.115 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' B' ' 76' ' ' PHE . 1.6 mt -113.01 -12.48 13.22 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.77 125.83 10.87 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.742 0.306 . . . . 0.0 110.66 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.25 -51.62 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.309 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.93 44.72 0.58 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.148 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.03 7.52 21.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.324 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.71 24.47 13.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.442 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.85 -20.07 5.76 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.342 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -90.96 -179.92 5.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.01 0.433 . . . . 0.0 110.44 179.715 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.451 ' O ' HD11 ' B' ' 27' ' ' LEU . 1.7 m -120.81 104.43 9.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.65 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.69 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -94.78 -176.9 4.01 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.366 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.519 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 30.1 t80 -59.15 -18.74 38.79 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.205 0.526 . . . . 0.0 110.449 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -64.1 -41.54 97.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 1.5 pp20? -78.07 -21.22 50.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.1 OUTLIER -55.66 -51.96 65.48 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.611 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.444 ' HB3' ' CB ' ' A' ' 78' ' ' ALA . 20.8 mmt -63.36 -53.43 52.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.159 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.36 65.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.744 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.457 ' HA ' HD23 ' B' ' 60' ' ' LEU . 58.3 t80 -65.82 -75.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.512 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.569 ' O ' ' HB ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -52.29 -26.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.993 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -82.49 -46.26 13.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.0 mtm -70.63 -53.99 13.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.167 0.508 . . . . 0.0 110.554 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.456 ' HA ' ' CD1' ' D' ' 7' ' ' TRP . 85.3 t -56.09 -42.05 71.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.921 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.569 ' HB ' ' O ' ' B' ' 77' ' ' VAL . 3.3 m -65.93 -61.06 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.53 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -42.89 -29.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.646 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -77.46 -72.3 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.34 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 4.5 p -89.34 -56.08 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.49 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 6.4 t60 -43.29 -26.4 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.113 0.482 . . . . 0.0 110.964 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -49.75 -64.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.514 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.17 -26.24 8.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.735 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.559 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.228 -0.037 0 CA-C-O 120.819 0.342 . . . . 0.0 110.58 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -98.72 1.78 46.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.141 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.512 ' C ' ' CD1' ' C' ' 5' ' ' ILE . 0.1 OUTLIER -81.45 -1.86 47.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.035 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' C' ' 7' ' ' TRP . 0.2 OUTLIER 32.63 39.54 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 121.461 0.648 . . . . 0.0 111.16 -179.283 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' C' ' 12' ' ' SER . 31.0 t0 -57.52 81.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.875 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' C' ' 5' ' ' ILE . 34.8 m0 -71.7 -54.71 9.44 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' C' ' 12' ' ' SER . 22.8 t30 172.35 -82.57 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.444 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.95 -55.54 2.76 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.59 HG22 ' CD2' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.04 -59.63 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -177.661 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.59 ' CD2' HG22 ' C' ' 10' ' ' ILE . 4.0 mm? -87.35 -11.7 48.59 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.192 0.52 . . . . 0.0 109.854 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 19.9 p . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.043 -0.98 . . . . 0.0 111.392 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.661 0.267 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . 0.485 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -52.61 -71.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.56 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -98.73 1.77 46.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.517 ' C ' ' CD1' ' D' ' 5' ' ' ILE . 0.1 OUTLIER -81.36 -2.04 47.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.016 179.774 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.582 ' O ' ' CD1' ' D' ' 7' ' ' TRP . 0.2 OUTLIER 32.72 39.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 121.394 0.616 . . . . 0.0 111.165 -179.214 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' D' ' 12' ' ' SER . 31.0 t0 -57.57 82.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.843 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' D' ' 5' ' ' ILE . 34.8 m0 -71.7 -54.69 9.5 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' D' ' 12' ' ' SER . 22.7 t30 172.23 -82.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.429 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.85 -55.59 2.75 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.583 HG22 ' CD2' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.1 -59.58 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.594 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.583 ' CD2' HG22 ' D' ' 10' ' ' ILE . 4.0 mm? -87.34 -11.75 48.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.214 0.53 . . . . 0.0 109.776 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 19.6 p . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.068 -0.968 . . . . 0.0 111.4 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.863 0.363 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.4 ' HA ' ' CD ' ' A' ' 5' ' ' LYS . 1.7 mt-10 -58.62 -23.15 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -25.8 61.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.08 -47.32 15.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -69.88 -49.78 48.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.154 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.75 -37.85 69.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 0.0 111.242 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -68.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 110.402 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 t -65.96 -25.36 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.839 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 5' ' ' LYS . . . -51.3 -43.3 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.088 0.47 . . . . 0.0 110.409 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.515 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -73.47 -47.32 42.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.26 179.256 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.458 HD13 ' CE1' ' A' ' 70' ' ' PHE . 6.9 mm -54.4 -50.64 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.178 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 1.1 m-20 -51.42 -52.34 46.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.432 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 21.7 t -45.48 -48.2 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.855 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.56 ' CD2' ' CD1' ' A' ' 27' ' ' LEU . 2.6 m-30 -81.24 -33.28 32.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 110.473 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.26 -22.89 66.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.034 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 17' ' ' TYR . 10.5 pt20 -84.47 -44.11 13.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.7 0.286 . . . . 0.0 110.811 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 34' ' ' GLU . 3.6 m-85 -83.18 -50.94 7.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.387 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 t -58.97 -49.18 78.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.227 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.251 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.985 -179.703 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 tttt . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.676 0.274 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -125.09 -36.96 2.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.689 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.81 160.67 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.13 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 68' ' ' CYS . 5.7 mp -135.26 141.72 45.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.918 0.39 . . . . 0.0 110.739 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -93.04 -178.94 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.775 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 4.9 mptt -51.33 -27.73 10.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.366 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.08 -41.15 18.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.057 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.403 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 21.6 mt-10 -75.73 -56.83 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.497 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.05 -59.9 3.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.899 0.38 . . . . 0.0 111.467 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.522 ' CG ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -58.08 -32.14 67.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 -179.511 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -53.46 -50.28 65.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.073 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' HA ' ' HB3' ' A' ' 38' ' ' ASN . 1.6 mm? -65.09 -30.87 71.86 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.816 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.684 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 1.6 mt -60.96 -48.17 90.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.334 0.588 . . . . 0.0 109.579 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -83.07 -10.28 58.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.615 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.456 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 9.3 t-20 -92.99 -34.67 13.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.589 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -156.03 46.57 0.47 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.684 ' CD1' ' HA ' ' A' ' 36' ' ' ILE . 85.0 mt . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 110.585 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.793 0.33 . . . . 0.0 111.579 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -164.22 -178.52 5.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.556 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.61 -34.02 58.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.043 0.449 . . . . 0.0 110.276 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.19 -42.08 76.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.058 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.2 m -60.61 -43.81 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.673 0.273 . . . . 0.0 110.805 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.811 ' HA ' HG13 ' A' ' 56' ' ' VAL . 2.7 t -53.02 -68.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.706 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 3.5 t0 -43.53 -32.15 0.86 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HB3' HG12 ' C' ' 10' ' ' ILE . 18.1 ttmt -84.37 -40.72 17.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.897 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.811 HG13 ' HA ' ' A' ' 53' ' ' VAL . 11.2 p -70.77 -35.36 60.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.455 ' N ' HG12 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -77.16 -26.73 53.3 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 17.5 mt-10 -79.79 -38.41 33.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.937 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.2 m -57.52 -21.41 37.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.525 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 76' ' ' PHE . 1.5 mt -92.18 -24.13 19.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.821 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.81 107.93 0.2 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -128.74 -45.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -156.22 41.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 7.72 54.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.714 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.35 27.23 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.89 23.78 11.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.664 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.65 177.59 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.354 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.625 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -112.04 88.85 2.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.689 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -78.9 -173.0 3.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.618 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.538 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.21 -23.05 61.19 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.09 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 1.2 pt20 -69.87 -30.3 67.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 0.0 110.676 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 2.1 mt-10 -70.61 -38.37 73.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -77.29 -20.47 54.98 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.307 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.482 ' HE1' ' HA ' ' B' ' 78' ' ' ALA . 12.7 mmm -68.72 -42.68 77.32 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -72.83 -26.06 61.35 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.763 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.772 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 45.4 t80 -64.1 -70.0 0.25 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.49 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.465 ' O ' ' HB ' ' A' ' 81' ' ' THR . 1.4 p -48.23 -29.56 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 121.177 0.513 . . . . 0.0 110.381 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.493 ' HA ' ' HE1' ' B' ' 74' ' ' MET . . . -84.68 -35.63 22.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.163 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.772 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 6.0 ptp -81.81 -44.44 16.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.029 0.442 . . . . 0.0 111.237 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.514 ' N ' ' HG3' ' A' ' 79' ' ' MET . 93.0 t -68.15 -40.79 83.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.34 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.643 ' HA ' ' HB2' ' A' ' 85' ' ' HIS . 6.4 t -63.55 -49.67 72.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.196 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.415 ' N ' ' CG2' ' A' ' 81' ' ' THR . 62.5 m -51.85 -39.3 58.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.091 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.441 ' CB ' ' HA ' ' C' ' 5' ' ' ILE . . . -65.98 -72.5 0.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.714 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' C' ' 2' ' ' ARG . 0.0 OUTLIER -88.7 -55.85 3.54 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.003 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.643 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 7.1 t60 -43.62 -24.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.803 0.335 . . . . 0.0 111.49 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.7 tm-20 -43.83 -63.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.762 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.85 -5.89 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.72 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.444 ' CZ ' ' CG2' ' C' ' 3' ' ' THR . 35.3 m-85 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.874 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.62 -23.14 58.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.25 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -25.88 61.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -47.32 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -69.84 -49.85 48.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.109 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.64 -37.99 68.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 111.2 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -68.34 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.37 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.9 -25.46 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.896 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' B' ' 5' ' ' LYS . . . -51.31 -43.28 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.001 0.429 . . . . 0.0 110.366 179.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.521 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -73.54 -47.33 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.192 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.465 HD13 ' CE1' ' B' ' 70' ' ' PHE . 7.0 mm -54.47 -50.52 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 1.1 m-20 -51.43 -52.34 47.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.445 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 21.7 t -45.52 -48.16 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.839 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.553 ' CD2' ' CD1' ' B' ' 27' ' ' LEU . 2.6 m-30 -81.23 -33.27 32.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.29 -22.85 66.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.971 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' B' ' 17' ' ' TYR . 10.6 pt20 -84.46 -44.08 14.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' B' ' 34' ' ' GLU . 3.6 m-85 -83.28 -50.87 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.347 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.3 t -59.08 -49.08 79.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.198 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.01 -179.699 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 tttt . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.723 0.297 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -125.03 -36.96 2.48 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.684 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.82 160.58 16.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.14 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.634 HD12 ' O ' ' B' ' 68' ' ' CYS . 5.7 mp -135.21 141.76 45.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.801 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -93.01 -179.02 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.809 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 4.9 mptt -51.19 -27.81 9.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.393 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -41.15 19.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.073 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -75.8 -56.84 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.455 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.12 -59.87 3.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 0.0 111.43 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.524 ' CG ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -58.13 -32.12 67.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.295 -179.487 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -53.35 -50.34 65.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' B' ' 17' ' ' TYR . 1.6 mm? -65.14 -30.77 71.73 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.013 0.435 . . . . 0.0 110.838 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.684 ' HA ' ' CD1' ' B' ' 40' ' ' LEU . 1.6 mt -60.98 -48.23 89.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.359 0.6 . . . . 0.0 109.613 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -83.04 -10.32 58.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.579 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 9.2 t-20 -92.99 -34.66 13.64 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.64 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -156.01 46.64 0.47 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.684 ' CD1' ' HA ' ' B' ' 36' ' ' ILE . 84.7 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.781 0.325 . . . . 0.0 111.645 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.488 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -164.28 -178.53 5.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.586 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.61 -33.96 58.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.092 0.473 . . . . 0.0 110.326 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.17 -42.11 76.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.081 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.488 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.2 m -60.66 -43.91 95.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.711 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.814 ' HA ' HG13 ' B' ' 56' ' ' VAL . 2.7 t -52.87 -68.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.717 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 3.5 t0 -43.54 -32.19 0.87 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.442 ' HB3' HG12 ' D' ' 10' ' ' ILE . 18.0 ttmt -84.34 -40.66 17.64 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.956 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.814 HG13 ' HA ' ' B' ' 53' ' ' VAL . 11.2 p -70.84 -35.25 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.452 ' N ' HG12 ' B' ' 56' ' ' VAL . 0.2 OUTLIER -77.25 -26.66 52.77 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 17.6 mt-10 -79.79 -38.34 33.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.0 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 42.3 m -57.66 -21.34 39.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.49 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' B' ' 76' ' ' PHE . 1.5 mt -92.14 -24.22 19.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.93 107.99 0.21 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -128.68 -45.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -156.24 41.1 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.758 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 7.68 54.52 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.76 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.41 27.26 16.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.812 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.83 23.73 11.49 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.741 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.63 177.51 8.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.352 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.634 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -111.93 88.68 2.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.031 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.684 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -78.92 -173.02 3.33 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.543 ' HA ' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -72.12 -23.06 61.26 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.163 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 1.2 pt20 -69.81 -30.39 67.9 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.705 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.422 ' CG ' ' OD1' ' B' ' 69' ' ' ASP . 2.1 mt-10 -70.58 -38.3 74.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -77.38 -20.44 54.72 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.252 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.493 ' HE1' ' HA ' ' A' ' 78' ' ' ALA . 12.8 mmm -68.69 -42.68 77.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.014 0.435 . . . . 0.0 109.977 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -72.83 -26.15 61.38 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.675 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.772 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 45.2 t80 -64.06 -69.91 0.25 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.534 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.467 ' O ' ' HB ' ' B' ' 81' ' ' THR . 1.4 p -48.33 -29.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.248 0.547 . . . . 0.0 110.363 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.482 ' HA ' ' HE1' ' A' ' 74' ' ' MET . . . -84.66 -35.58 22.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.132 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.772 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 6.0 ptp -81.8 -44.5 16.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.051 0.453 . . . . 0.0 111.239 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.52 ' N ' ' HG3' ' B' ' 79' ' ' MET . 91.9 t -68.09 -40.83 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.28 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.635 ' HA ' ' HB2' ' B' ' 85' ' ' HIS . 6.4 t -63.71 -49.55 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.145 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 62.3 m -51.87 -39.3 58.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.036 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -65.98 -72.51 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.657 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' D' ' 2' ' ' ARG . 0.0 OUTLIER -88.71 -55.97 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.635 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 7.1 t60 -43.64 -24.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 111.528 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.7 tm-20 -43.95 -63.22 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.696 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.84 -5.93 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.689 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.445 ' CZ ' ' CG2' ' D' ' 3' ' ' THR . 35.1 m-85 . . . . . 0 CA--C 1.528 0.125 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.878 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 6.1 mtp180 . . . . . 0 CA--C 1.524 -0.03 0 CA-C-O 120.841 0.353 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' THR . . . . . 0.444 ' CG2' ' CZ ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -98.72 1.72 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.098 179.323 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.523 ' C ' ' CD1' ' C' ' 5' ' ' ILE . 0.0 OUTLIER -80.8 -2.16 46.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.438 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.564 ' O ' ' CD1' ' C' ' 7' ' ' TRP . 0.2 OUTLIER 33.79 37.59 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.372 0.606 . . . . 0.0 111.236 -179.3 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.506 ' HA ' ' O ' ' C' ' 12' ' ' SER . 28.8 t0 -61.28 87.74 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.897 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' C' ' 5' ' ' ILE . 32.0 m0 -76.49 -44.19 36.43 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.586 ' O ' ' HA ' ' C' ' 12' ' ' SER . 1.9 m-80 170.21 -86.79 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.792 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 -49.97 4.5 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.596 HG21 ' CD2' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.42 -59.56 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.596 ' CD2' HG21 ' C' ' 10' ' ' ILE . 4.1 mm? -90.4 -11.82 39.36 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 9.2 p . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.537 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.671 0.272 . . . . 0.0 111.45 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 6.1 mtp180 -50.42 -71.47 0.06 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.827 0.346 . . . . 0.0 110.604 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 3' ' ' THR . . . . . 0.445 ' CG2' ' CZ ' ' B' ' 88' ' ' PHE . 0.2 OUTLIER -98.65 1.76 46.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 179.341 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.518 ' C ' ' CD1' ' D' ' 5' ' ' ILE . 0.0 OUTLIER -80.85 -2.15 46.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.392 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' D' ' 7' ' ' TRP . 0.2 OUTLIER 33.83 37.53 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.363 0.601 . . . . 0.0 111.219 -179.311 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.512 ' HA ' ' O ' ' D' ' 12' ' ' SER . 28.7 t0 -61.18 87.65 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.998 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' D' ' 5' ' ' ILE . 31.7 m0 -76.36 -44.26 37.27 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.587 ' O ' ' HA ' ' D' ' 12' ' ' SER . 1.9 m-80 170.23 -86.95 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.714 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.18 -49.96 4.53 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.591 HG21 ' CD2' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.43 -59.55 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.591 ' CD2' HG21 ' D' ' 10' ' ' ILE . 4.1 mm? -90.4 -11.73 39.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 9.3 p . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.529 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.931 0.396 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.41 -38.23 68.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.143 0.497 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -44.69 65.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -61.34 -41.12 96.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -73.16 -51.45 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.411 ' HA ' ' CB ' ' B' ' 6' ' ' ALA . . . -57.72 -49.15 77.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.445 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.466 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.6 ttm -50.27 -65.04 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.03 -20.27 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.844 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.59 91.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.342 0.592 . . . . 0.0 109.641 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 1.2 pp -69.31 -39.25 78.38 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.488 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 7' ' ' MET . 4.1 mt -65.73 -35.99 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.601 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -42.12 54.97 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.6 t -58.56 -46.64 89.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.426 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.505 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.09 -34.66 68.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.368 179.418 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.466 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -72.1 -16.34 62.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.017 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -45.06 16.44 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.948 0.404 . . . . 0.0 110.085 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 2.7 m-85 -83.49 -46.97 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.12 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -57.31 117.1 3.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' HA ' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.627 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HA ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.816 0.341 . . . . 0.0 110.987 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.699 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 2.2 t-160 -176.69 42.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.699 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 1.2 mtpt -164.89 152.08 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.834 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.66 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 1.3 mm? -134.51 133.59 40.52 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 121.009 0.433 . . . . 0.0 111.34 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.6 -169.91 1.86 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.421 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -55.27 -41.38 72.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.143 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -74.99 -42.39 57.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.58 -67.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.188 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -45.52 -59.74 2.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.071 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 38.7 mttt -41.28 -46.93 3.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.547 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.62 -55.51 31.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.595 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 1.3 mm? -49.44 -35.93 20.83 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.923 0.392 . . . . 0.0 111.537 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.497 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 1.2 mt -55.18 -64.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.7 -12.67 61.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.601 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.446 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 8.8 t30 -88.92 -23.67 22.65 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.592 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -148.11 43.88 1.05 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.282 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 83.5 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.696 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HB2' HG21 ' A' ' 52' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.961 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 1.9 mt-10 167.29 175.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.026 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.23 -31.71 62.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.863 0.363 . . . . 0.0 110.75 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -73.44 -40.55 64.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.448 HG21 ' HB2' ' A' ' 48' ' ' LYS . 17.1 m -61.26 -42.33 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.567 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.463 ' CG2' ' O ' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -61.09 -50.07 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.926 -179.632 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -48.73 -35.31 13.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.092 0.472 . . . . 0.0 109.839 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' A' ' 59' ' ' THR . 0.0 OUTLIER -81.31 -41.11 22.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.075 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.417 HG23 ' CD1' ' C' ' 10' ' ' ILE . 91.3 t -55.6 -53.37 37.41 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.079 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.762 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -39.58 73.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -38.46 91.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.856 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.58 ' CG2' ' HB3' ' C' ' 8' ' ' ASN . 0.2 OUTLIER -64.8 -31.85 73.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.145 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.462 HD21 ' CG ' ' A' ' 76' ' ' PHE . 78.3 mt -80.43 -50.12 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.114 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -49.15 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.044 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.55 -50.15 6.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.677 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 176.72 45.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.11 -58.11 0.93 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.601 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.37 30.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.61 -17.37 35.42 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.347 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.66 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 2.1 pt-20 -114.68 -175.12 2.62 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 27' ' ' LEU . 3.2 m -111.22 115.25 29.04 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 9.1 p-10 -104.7 -167.65 1.38 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.446 ' CE1' HG12 ' A' ' 11' ' ' ILE . 5.7 t80 -62.05 -26.16 68.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.93 -38.31 90.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.964 0.411 . . . . 0.0 110.697 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.445 ' HB3' ' HB3' ' A' ' 60' ' ' LEU . 3.0 mm-40 -76.8 -28.28 55.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.459 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -51.99 -58.35 6.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 179.26 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.0 mmm -60.2 -45.87 91.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.134 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.12 63.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.031 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.462 ' CG ' HD21 ' A' ' 60' ' ' LEU . 44.3 t80 -85.44 -74.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.298 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.523 ' O ' ' CG2' ' A' ' 81' ' ' THR . 0.9 OUTLIER -50.24 -26.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.411 -179.687 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.83 -53.79 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.1 mtm -62.16 -46.07 90.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.421 0.629 . . . . 0.0 110.267 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.486 HG12 ' CZ2' ' C' ' 7' ' ' TRP . 89.4 t -56.54 -52.45 53.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.674 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 14.8 p -72.97 -49.52 28.67 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.783 0.325 . . . . 0.0 111.452 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 68.9 m -47.87 -25.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.691 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' CB ' ' C ' ' C' ' 5' ' ' ILE . . . -83.29 -68.35 0.72 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 112.025 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -85.88 -49.95 7.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.621 -178.656 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.46 ' CD2' ' CD1' ' B' ' 11' ' ' ILE . 1.4 t60 -51.3 -19.38 1.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.128 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 82' ' ' THR . 18.3 tt0 -61.12 -64.75 0.85 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.569 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -121.91 -16.56 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 84' ' ' CYS . 8.7 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.553 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.846 0.355 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.31 -38.32 68.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.177 0.513 . . . . 0.0 110.992 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.32 -44.83 65.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.984 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -61.24 -41.24 96.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.578 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -73.16 -51.48 17.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.773 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.411 ' CB ' ' HA ' ' A' ' 6' ' ' ALA . . . -57.78 -49.11 77.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.466 ' O ' HG13 ' B' ' 11' ' ' ILE . 49.6 ttm -50.26 -65.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.968 0.413 . . . . 0.0 110.801 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.96 -20.41 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.753 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.56 91.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.259 0.552 . . . . 0.0 109.669 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' B' ' 11' ' ' ILE . 1.2 pp -69.32 -39.32 78.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.459 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 7' ' ' MET . 4.1 mt -65.74 -35.99 76.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.599 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -42.01 55.03 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 25.7 t -58.66 -46.6 90.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.413 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.511 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -72.16 -34.7 68.69 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.369 179.489 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.462 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -72.03 -16.32 62.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.094 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -45.2 16.3 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.922 0.391 . . . . 0.0 110.022 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.478 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 2.7 m-85 -83.46 -47.02 11.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m -57.3 117.11 3.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.636 179.839 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.788 0.328 . . . . 0.0 111.008 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.707 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 2.2 t-160 -176.69 42.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.707 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 1.2 mtpt -164.93 152.05 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.856 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.66 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 1.3 mm? -134.52 133.54 40.44 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 120.973 0.416 . . . . 0.0 111.344 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -169.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.444 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -55.32 -41.41 72.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.012 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -74.95 -42.47 57.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.64 -67.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.15 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -45.59 -59.58 2.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.133 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.423 ' O ' ' HB ' ' B' ' 36' ' ' ILE . 38.7 mttt -41.37 -46.97 3.47 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.516 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.6 -55.47 31.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.589 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.478 ' CD1' ' CD1' ' B' ' 17' ' ' TYR . 1.3 mm? -49.44 -35.99 21.03 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 120.933 0.397 . . . . 0.0 111.465 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 1.2 mt -55.16 -64.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -68.66 -12.67 61.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.621 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.453 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 8.8 t30 -88.97 -23.65 22.6 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.594 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -148.07 43.83 1.06 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.288 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 83.1 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 0.0 110.692 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.466 ' HB2' HG21 ' B' ' 52' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.468 ' O ' ' CG2' ' B' ' 53' ' ' VAL . 1.9 mt-10 167.46 175.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.921 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.23 -31.66 62.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.834 0.349 . . . . 0.0 110.852 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -73.44 -40.65 64.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' B' ' 48' ' ' LYS . 17.0 m -61.24 -42.24 92.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.628 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.468 ' CG2' ' O ' ' B' ' 49' ' ' GLU . 0.2 OUTLIER -61.05 -50.06 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.027 -179.747 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -48.76 -35.25 13.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.144 0.497 . . . . 0.0 109.866 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.424 ' O ' ' OG1' ' B' ' 59' ' ' THR . 0.0 OUTLIER -81.41 -41.01 22.54 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.061 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.422 HG23 ' CD1' ' D' ' 10' ' ' ILE . 91.2 t -55.7 -53.24 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.78 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -39.5 73.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -38.44 91.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.934 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.592 ' CG2' ' HB3' ' D' ' 8' ' ' ASN . 0.2 OUTLIER -64.76 -31.8 73.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.195 179.166 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.452 HD21 ' CG ' ' B' ' 76' ' ' PHE . 78.4 mt -80.49 -50.06 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.085 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -49.19 95.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.025 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.66 -50.16 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 176.78 45.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.09 -58.21 0.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.531 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.38 30.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -17.28 35.64 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.301 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.66 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 2.1 pt-20 -114.74 -175.24 2.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' B' ' 27' ' ' LEU . 3.2 m -111.13 115.3 29.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.538 ' HB3' ' HA ' ' B' ' 26' ' ' LYS . 9.1 p-10 -104.73 -167.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CE1' HG12 ' B' ' 11' ' ' ILE . 5.7 t80 -62.05 -26.2 68.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.92 -38.32 90.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.709 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.44 ' HB3' ' HB3' ' B' ' 60' ' ' LEU . 3.1 mm-40 -76.85 -28.23 55.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.472 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.511 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -51.98 -58.35 6.77 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.306 179.229 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 71.9 mmm -60.17 -45.94 91.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.075 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.13 -21.08 63.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.049 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.452 ' CG ' HD21 ' B' ' 60' ' ' LEU . 44.2 t80 -85.38 -74.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.318 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.517 ' O ' ' CG2' ' B' ' 81' ' ' THR . 0.9 OUTLIER -50.2 -26.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.413 -179.704 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.85 -53.77 5.36 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.2 mtm -62.06 -46.12 90.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.41 0.624 . . . . 0.0 110.284 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.492 HG12 ' CZ2' ' D' ' 7' ' ' TRP . 89.2 t -56.57 -52.44 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.645 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' B' ' 77' ' ' VAL . 15.0 p -73.01 -49.47 28.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 111.445 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 69.2 m -47.79 -25.96 1.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.697 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' D' ' 1' ' ' THR . . . -83.29 -68.35 0.72 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -85.78 -50.0 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.654 -178.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.454 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.4 t60 -51.32 -19.35 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.06 0.457 . . . . 0.0 110.1 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' B' ' 82' ' ' THR . 18.3 tt0 -61.15 -64.78 0.84 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.522 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -121.97 -16.41 7.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.007 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' B' ' 84' ' ' CYS . 8.7 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 . . . . . 0 N--CA 1.456 -0.154 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 7.2 t -101.31 1.82 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.638 ' O ' HG13 ' C' ' 5' ' ' ILE . 8.9 tttt -83.72 -65.48 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.262 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.638 HG13 ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 141.77 -11.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.867 1.267 . . . . 0.0 110.345 179.262 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.447 ' N ' HD11 ' C' ' 5' ' ' ILE . 40.0 t0 64.32 -4.41 0.41 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.648 ' O ' ' HB2' ' C' ' 8' ' ' ASN . 11.6 m95 -48.85 -69.37 0.12 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.646 0.657 . . . . 0.0 109.9 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.648 ' HB2' ' O ' ' C' ' 7' ' ' TRP . 43.8 t-20 146.4 -97.86 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.489 0.715 . . . . 0.0 111.936 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.2 -36.33 10.48 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' HE3' ' C' ' 7' ' ' TRP . 1.7 tp -52.82 -60.79 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.5 0.191 . . . . 0.0 111.242 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.421 HD12 ' CD1' ' C' ' 7' ' ' TRP . 16.7 mt -93.13 -25.22 17.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.215 0.531 . . . . 0.0 109.902 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.637 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.281 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 1' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' B' ' 83' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.549 0.214 . . . . 0.0 111.403 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -100.27 -73.4 0.64 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.698 -0.401 . . . . 0.0 112.024 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 7.3 t -101.22 1.74 39.25 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.632 ' O ' HG13 ' D' ' 5' ' ' ILE . 8.8 tttt -83.74 -65.53 1.0 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.268 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.632 HG13 ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 141.79 -11.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.9 1.28 . . . . 0.0 110.332 179.174 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.437 ' N ' HD11 ' D' ' 5' ' ' ILE . 40.2 t0 64.17 -4.36 0.4 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.65 ' O ' ' HB2' ' D' ' 8' ' ' ASN . 11.6 m95 -48.89 -69.38 0.12 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.697 0.68 . . . . 0.0 109.939 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.652 ' O ' ' HA ' ' D' ' 12' ' ' SER . 44.0 t-20 146.47 -97.71 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.548 0.739 . . . . 0.0 111.94 177.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -36.27 10.45 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.448 ' CG2' ' HE3' ' D' ' 7' ' ' TRP . 1.7 tp -52.78 -60.84 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.514 0.197 . . . . 0.0 111.233 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.424 HD12 ' CD1' ' D' ' 7' ' ' TRP . 16.8 mt -93.08 -25.38 17.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.157 0.504 . . . . 0.0 109.813 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.652 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.297 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.752 0.31 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -58.65 -23.71 59.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.14 -62.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.87 -41.03 97.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.13 -61.59 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.82 -36.01 69.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.397 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.534 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.0 ttt -58.93 -55.36 36.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.758 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.655 ' HA ' HG13 ' A' ' 11' ' ' ILE . 21.8 t -73.32 -28.55 25.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.884 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.59 -42.78 71.51 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.445 0.64 . . . . 0.0 109.801 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.94 -59.72 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.116 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -47.9 -37.11 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.69 179.125 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.77 -42.83 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.281 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.65 -47.02 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.863 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.566 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -76.61 -24.57 53.41 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.703 0.287 . . . . 0.0 111.086 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.423 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 18.5 t-80 -81.38 -18.02 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.94 -43.89 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.211 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.499 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 3.0 m-85 -83.55 -58.42 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.3 114.26 2.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.935 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.039 0.447 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -171.37 -34.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.687 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.73 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.33 163.44 13.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.343 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 68' ' ' CYS . 2.3 mm? -131.96 139.72 48.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.133 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.82 -177.49 3.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.004 0.431 . . . . 0.0 111.556 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.61 -26.4 13.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.019 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -83.12 -43.87 15.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.674 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.43 -64.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.439 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.413 ' N ' ' HB3' ' A' ' 27' ' ' LEU . 3.4 tm? -44.05 -56.89 3.69 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.783 0.325 . . . . 0.0 111.424 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.53 ' HD3' HG11 ' A' ' 53' ' ' VAL . 73.9 mttt -59.32 -45.81 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.819 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -43.03 -45.92 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.285 -179.67 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 2.2 mm? -66.33 -38.57 87.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.235 0.54 . . . . 0.0 110.262 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.524 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -54.69 -56.7 9.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.943 178.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -69.94 -22.57 63.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.701 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.498 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 64.7 t-20 -67.54 -45.59 75.27 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.802 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.71 61.89 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.524 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.219 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.579 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 120.745 0.307 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -160.55 -174.64 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -76.73 -44.3 33.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.041 0.448 . . . . 0.0 110.508 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.44 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.266 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.0 m -61.1 -44.42 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.967 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.817 ' HA ' HG11 ' A' ' 56' ' ' VAL . 3.8 t -48.52 -54.59 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-O 120.93 0.395 . . . . 0.0 111.246 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -54.8 -32.51 60.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.057 0.456 . . . . 0.0 109.972 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -77.28 -42.88 35.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.362 179.302 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.817 HG11 ' HA ' ' A' ' 53' ' ' VAL . 4.2 p -65.67 -49.25 78.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.431 ' HA ' HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -60.66 -24.51 65.63 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.27 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 11.7 mt-10 -87.25 -35.24 18.61 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.601 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' LYS . 85.5 m -63.59 -28.66 70.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.748 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 57' ' ' MET . 1.0 OUTLIER -86.88 -27.77 23.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.848 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.22 96.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -123.94 -43.68 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.738 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -139.73 40.22 2.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.728 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.84 6.68 25.78 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.827 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 58.49 23.69 11.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.778 0.323 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.38 7.54 26.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.829 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.416 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 3.0 mt-10 -136.24 -177.37 4.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.465 ' HA ' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -112.07 99.25 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.072 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.73 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -95.31 -174.65 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.54 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 16.5 t80 -59.12 -19.87 48.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.214 0.531 . . . . 0.0 110.469 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -66.52 -40.04 88.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.372 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.465 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 16.4 mm-40 -73.41 -29.43 62.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.151 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -52.65 -50.22 63.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.829 178.53 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.43 ' HB3' ' CB ' ' B' ' 78' ' ' ALA . 17.6 mmt -59.74 -57.19 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.424 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.37 68.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.431 ' CD2' HD11 ' A' ' 60' ' ' LEU . 3.6 t80 -60.34 -74.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.545 ' O ' ' HB ' ' A' ' 81' ' ' THR . 2.4 m -58.56 -28.58 36.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.332 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' B' ' 74' ' ' MET . . . -76.24 -47.77 22.69 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.6 mtm -70.35 -59.03 3.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.175 0.512 . . . . 0.0 110.754 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.43 HG23 ' CZ2' ' C' ' 7' ' ' TRP . 96.1 t -51.46 -35.2 16.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.286 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' ' 77' ' ' VAL . 2.0 m -71.22 -60.23 2.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.346 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.57 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 34.0 m -43.16 -26.52 0.17 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.539 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.663 ' CB ' ' HA ' ' C' ' 5' ' ' ILE . . . -83.57 -70.89 0.53 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.591 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -88.86 -56.05 3.45 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.669 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.446 ' HB3' HG22 ' A' ' 81' ' ' THR . 1.7 t-160 -53.18 -19.77 3.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.327 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.57 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.4 tm-20 -52.96 -64.28 0.87 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.084 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -118.87 -27.63 5.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.554 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 84' ' ' CYS . 8.1 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.792 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.84 0.352 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.68 -23.7 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.09 -62.59 1.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.87 -40.93 97.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.13 -61.65 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.83 -35.89 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.399 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.544 ' O ' HG13 ' B' ' 11' ' ' ILE . 2.0 ttt -59.11 -55.28 37.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.79 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . 0.642 ' HA ' HG13 ' B' ' 11' ' ' ILE . 21.8 t -73.36 -28.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.904 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.61 -42.84 71.62 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.457 0.646 . . . . 0.0 109.803 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.89 -59.63 3.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.144 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.642 HG13 ' HA ' ' B' ' 8' ' ' VAL . 0.4 OUTLIER -48.11 -36.99 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.667 179.244 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -42.83 72.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.285 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 t -63.7 -46.91 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.83 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -76.71 -24.51 53.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 111.151 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.422 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 18.5 t-80 -81.33 -18.18 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.068 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.84 -43.97 14.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.858 0.361 . . . . 0.0 110.205 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.495 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 3.0 m-85 -83.42 -58.55 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.174 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.29 114.3 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.901 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.051 0.453 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -171.47 -34.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.734 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.742 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.39 163.37 14.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.373 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.419 HD21 ' O ' ' B' ' 68' ' ' CYS . 2.3 mm? -131.91 139.74 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.142 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.86 -177.43 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.911 0.386 . . . . 0.0 111.599 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.72 -26.4 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -83.11 -43.83 15.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.52 -64.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.408 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.411 ' N ' ' HB3' ' B' ' 27' ' ' LEU . 3.4 tm? -44.04 -56.86 3.7 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.722 0.296 . . . . 0.0 111.451 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.542 ' HD3' HG11 ' B' ' 53' ' ' VAL . 74.0 mttt -59.32 -45.73 90.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.883 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.426 ' HB3' ' CZ ' ' B' ' 17' ' ' TYR . 0.5 OUTLIER -43.09 -45.97 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.235 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.514 ' HA ' ' HB3' ' B' ' 38' ' ' ASN . 2.2 mm? -66.22 -38.6 88.31 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.262 0.553 . . . . 0.0 110.298 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.524 ' O ' ' HB3' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -54.66 -56.69 9.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.311 -0.858 . . . . 0.0 108.98 178.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -69.93 -22.67 63.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.695 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.514 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 64.7 t-20 -67.37 -45.72 75.44 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.807 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.68 61.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.524 ' HB3' ' O ' ' B' ' 36' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.241 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.532 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.762 0.315 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.461 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -160.51 -174.61 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.532 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -76.66 -44.4 34.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 0.0 110.513 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -42.49 98.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.346 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.0 m -61.11 -44.39 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.994 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.831 ' HA ' HG11 ' B' ' 56' ' ' VAL . 3.8 t -48.48 -54.62 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 1.0 OUTLIER -54.81 -32.54 60.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.077 0.465 . . . . 0.0 109.948 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -77.29 -42.81 35.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.409 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.831 HG11 ' HA ' ' B' ' 53' ' ' VAL . 4.2 p -65.65 -49.27 78.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.436 ' HA ' HD13 ' B' ' 60' ' ' LEU . 0.5 OUTLIER -60.59 -24.56 65.55 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.187 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 11.6 mt-10 -87.28 -35.14 18.63 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.594 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.475 ' N ' ' O ' ' B' ' 55' ' ' LYS . 85.9 m -63.69 -28.59 70.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.799 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 57' ' ' MET . 1.0 OUTLIER -86.96 -27.67 23.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.875 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.2 96.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -123.97 -43.64 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.732 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -139.65 40.16 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.74 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.95 6.87 25.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.693 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 58.47 23.56 10.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.4 7.59 26.1 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.83 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' B' ' 26' ' ' LYS . 3.0 mt-10 -136.21 -177.43 4.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.44 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 0.1 OUTLIER -111.94 99.27 7.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.742 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.8 OUTLIER -95.28 -174.68 3.28 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 178.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.544 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 16.4 t80 -59.08 -19.88 48.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.142 0.496 . . . . 0.0 110.436 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -66.43 -40.19 89.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.365 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 16.4 mm-40 -73.4 -29.41 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.1 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -52.65 -50.28 63.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.777 178.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.44 ' HB3' ' CB ' ' A' ' 78' ' ' ALA . 17.6 mmt -59.72 -57.1 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.392 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.4 68.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.425 ' CD2' HD11 ' B' ' 60' ' ' LEU . 3.7 t80 -60.22 -74.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.639 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.543 ' O ' ' HB ' ' B' ' 81' ' ' THR . 2.4 m -58.52 -28.6 36.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.34 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.43 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -76.33 -47.57 23.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 31.5 mtm -70.43 -58.98 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.2 0.524 . . . . 0.0 110.776 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.441 HG23 ' CZ2' ' D' ' 7' ' ' TRP . 95.3 t -51.51 -35.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.267 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.543 ' HB ' ' O ' ' B' ' 77' ' ' VAL . 1.9 m -71.35 -60.19 2.36 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 34.5 m -43.11 -26.51 0.16 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.584 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.66 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -83.61 -70.85 0.53 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.595 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' B' ' 88' ' ' PHE . 0.5 OUTLIER -88.88 -56.13 3.41 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.696 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.453 ' HB3' HG22 ' B' ' 81' ' ' THR . 1.7 t-160 -53.21 -19.72 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.12 0.486 . . . . 0.0 110.314 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.4 tm-20 -53.01 -64.25 0.88 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.126 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -118.86 -27.61 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.576 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' B' ' 84' ' ' CYS . 8.1 m-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.735 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.747 0.308 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 23.5 p -102.87 -10.83 18.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.724 ' O ' ' CG2' ' C' ' 5' ' ' ILE . 0.0 OUTLIER -101.45 -63.81 1.11 Allowed 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -177.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.724 ' CG2' ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 114.1 34.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.598 1.559 . . . . 0.0 110.489 -179.077 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.414 ' N ' ' HD3' ' C' ' 4' ' ' LYS . 4.5 p-10 -69.25 70.6 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.026 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.544 ' HE3' HG23 ' C' ' 10' ' ' ILE . 20.3 m0 -52.19 -53.64 40.7 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.052 0.453 . . . . 0.0 109.837 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.444 ' O ' ' HA ' ' C' ' 12' ' ' SER . 0.3 OUTLIER -178.4 -92.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.678 179.019 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -39.37 9.04 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.544 HG23 ' HE3' ' C' ' 7' ' ' TRP . 2.0 tt -56.13 -60.85 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.706 ' HG ' HG12 ' C' ' 5' ' ' ILE . 4.5 mm? -92.95 -15.94 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.632 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 11.6 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.313 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 1' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' B' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.642 0.258 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -101.05 -74.89 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.382 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 23.6 p -102.81 -10.83 18.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.728 ' O ' ' CG2' ' D' ' 5' ' ' ILE . 0.0 OUTLIER -101.47 -63.79 1.11 Allowed 'General case' 0 C--O 1.225 -0.197 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -177.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.728 ' CG2' ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 114.12 34.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.579 1.552 . . . . 0.0 110.442 -179.109 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.408 ' N ' ' HD3' ' D' ' 4' ' ' LYS . 4.4 p-10 -69.33 70.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.045 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.542 ' HE3' HG23 ' D' ' 10' ' ' ILE . 20.4 m0 -52.19 -53.62 41.05 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.064 0.459 . . . . 0.0 109.834 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.456 ' HB3' ' H ' ' D' ' 9' ' ' LYS . 0.3 OUTLIER -178.4 -92.08 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.635 179.006 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . 0.456 ' H ' ' HB3' ' D' ' 8' ' ' ASN . 0.0 OUTLIER -97.89 -39.43 9.0 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.81 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.542 HG23 ' HE3' ' D' ' 7' ' ' TRP . 2.0 tt -56.05 -60.88 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.695 ' HG ' HG12 ' D' ' 5' ' ' ILE . 4.5 mm? -93.01 -15.82 25.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 11.4 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.419 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.735 0.302 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -59.49 -23.67 62.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -25.27 61.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -79.56 -47.56 15.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -46.8 58.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.081 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.75 77.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.934 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.419 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -61.28 -63.4 1.3 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.504 179.632 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.36 -23.62 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.393 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.85 84.82 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.426 0.631 . . . . 0.0 109.619 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 3.3 mt -67.78 -44.91 76.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.826 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.45 HG12 ' CE1' ' A' ' 70' ' ' PHE . 5.1 mt -58.09 -42.87 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.917 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.07 -42.82 69.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.414 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 15.4 t -57.64 -56.57 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.416 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -69.91 -27.91 65.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.442 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 26.1 t60 -75.14 -18.82 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -47.14 11.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.3 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.483 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.6 m-85 -83.58 -62.18 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.71 122.3 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 13.7 tmtt? . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.67 0.271 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' O ' ' HB3' ' A' ' 69' ' ' ASP . 10.7 t-160 84.73 -35.51 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.707 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.813 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.14 158.79 17.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.696 0.284 . . . . 0.0 110.263 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.461 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 4.5 mp -135.42 137.84 42.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 111.053 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -92.03 174.9 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.44 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 1.1 mptt -49.19 -29.17 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.097 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 1.1 p -84.07 -28.16 27.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.767 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.12 -69.46 0.59 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.442 HD22 ' CB ' ' A' ' 57' ' ' MET . 0.9 OUTLIER -54.02 -45.92 71.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.35 . . . . 0.0 111.307 -179.213 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 12.8 ttmt -62.69 -40.43 97.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -49.02 -46.2 43.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.75 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.483 HD11 ' CD1' ' A' ' 17' ' ' TYR . 3.4 mm? -67.44 -42.11 83.65 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.236 0.541 . . . . 0.0 110.972 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.599 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 1.9 mt -58.37 -36.38 58.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.806 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.65 -17.47 25.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.641 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' GLU . 57.7 t30 -92.66 -20.19 21.09 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.284 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' LEU . 81.5 mm-40 -134.93 -32.13 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.599 ' CD1' ' HA ' ' A' ' 36' ' ' ILE . 2.0 mt . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.893 0.378 . . . . 0.0 111.07 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HG2' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.558 0.218 . . . . 0.0 111.058 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.19 146.63 33.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.447 ' HA ' HG21 ' A' ' 53' ' ' VAL . 63.5 mt-30 -51.99 -38.21 55.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.114 0.483 . . . . 0.0 110.811 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.49 -42.57 96.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.411 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.593 HG23 ' N ' ' A' ' 53' ' ' VAL . 9.5 m -70.6 -37.69 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.374 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.778 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 2.4 t -57.8 -28.99 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 110.985 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -72.75 -50.54 23.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.632 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' THR . 10.3 ttmt -64.32 -45.43 87.93 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.365 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.778 ' CG1' ' HA ' ' A' ' 53' ' ' VAL . 10.4 p -63.15 -51.96 64.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.442 ' CB ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -61.47 -25.62 67.36 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.151 0.501 . . . . 0.0 109.675 178.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 22.6 mt-10 -86.6 -26.25 24.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.437 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.522 HG21 ' H ' ' C' ' 10' ' ' ILE . 54.2 m -75.71 -24.32 56.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.951 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CD1' ' CE2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -95.93 -16.96 21.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.294 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -46.77 101.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.762 0.315 . . . . 0.0 111.258 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -107.89 -54.2 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -141.07 37.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.21 7.28 26.93 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.69 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 58.62 31.92 21.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.45 28.44 10.52 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.5 mt-10 -137.65 172.43 12.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.876 0.37 . . . . 0.0 110.485 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.448 ' O ' HD11 ' A' ' 27' ' ' LEU . 1.7 t -111.63 86.81 2.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.0 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.813 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -76.15 -173.95 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.577 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . 29.7 t80 -66.97 -33.09 74.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.415 ' CG ' ' OD2' ' A' ' 69' ' ' ASP . 8.0 pt20 -76.23 -23.48 54.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.375 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -84.33 -37.28 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -82.84 -22.95 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.477 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.403 ' HA ' ' HE1' ' A' ' 74' ' ' MET . 0.0 OUTLIER -72.13 -47.88 47.78 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -67.87 -23.68 65.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.51 ' O ' ' HG3' ' A' ' 79' ' ' MET . 1.0 OUTLIER -63.95 -72.12 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.758 179.422 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . 0.434 ' O ' ' HB ' ' A' ' 81' ' ' THR . 2.6 p -44.93 -32.27 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-O 121.224 0.535 . . . . 0.0 110.76 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' B' ' 78' ' ' ALA . . . -85.31 -40.04 17.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.403 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -72.14 -44.09 63.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.477 HG11 ' CZ2' ' C' ' 7' ' ' TRP . 59.4 t -68.57 -38.27 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.411 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 85' ' ' HIS . 8.5 m -70.36 -59.79 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.034 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.8 p -50.11 -24.95 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.003 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' C' ' 6' ' ' ASP . . . -75.81 -72.68 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 5.1 p -87.99 -54.08 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.55 ' HB3' HG22 ' A' ' 81' ' ' THR . 0.9 OUTLIER -44.7 -24.61 0.21 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 110.796 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' B' ' 25' ' ' HIS . 1.2 tm-20 -50.64 -63.69 1.04 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.38 -21.23 10.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 9.3 m-85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.222 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.808 0.337 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -59.57 -23.67 63.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.021 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -25.2 61.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -79.64 -47.57 15.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -46.83 58.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.067 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.85 77.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.427 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -61.26 -63.43 1.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.466 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.34 -23.67 28.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.311 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.75 84.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.361 0.601 . . . . 0.0 109.551 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.433 ' HB3' ' CZ ' ' B' ' 73' ' ' PHE . 3.3 mt -67.91 -44.77 76.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.816 178.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.446 HG12 ' CE1' ' B' ' 70' ' ' PHE . 5.2 mt -58.23 -42.79 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.891 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -54.09 -42.97 69.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.416 ' CG1' ' HG ' ' B' ' 35' ' ' LEU . 15.1 t -57.42 -56.63 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.532 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -69.88 -27.89 65.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.79 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.44 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 26.4 t60 -75.22 -18.78 60.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.2 -47.06 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.327 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.482 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.51 -62.42 1.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.48 122.28 10.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 13.7 tmtt? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.695 0.283 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' B' ' 69' ' ' ASP . 10.7 t-160 84.82 -35.59 0.05 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.678 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.813 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.08 158.84 17.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.646 0.26 . . . . 0.0 110.301 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 67' ' ' GLU . 4.5 mp -135.49 137.79 42.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.965 0.412 . . . . 0.0 111.12 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -91.99 174.88 7.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.401 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' B' ' 33' ' ' LYS . 1.1 mptt -49.06 -29.22 4.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.196 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 1.1 p -84.1 -28.1 27.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.794 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.19 -69.36 0.6 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' B' ' 68' ' ' CYS . 0.9 OUTLIER -54.1 -45.91 71.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.368 . . . . 0.0 111.297 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' B' ' 29' ' ' LYS . 12.8 ttmt -62.78 -40.38 97.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.016 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -48.86 -46.34 42.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.696 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.482 HD11 ' CD1' ' B' ' 17' ' ' TYR . 3.4 mm? -67.28 -42.31 84.01 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.38 0.609 . . . . 0.0 110.913 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.602 ' HA ' ' CD1' ' B' ' 40' ' ' LEU . 1.9 mt -58.36 -36.4 58.26 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.798 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.48 -17.49 25.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.737 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' B' ' 34' ' ' GLU . 57.8 t30 -92.68 -20.19 21.07 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.275 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' B' ' 35' ' ' LEU . 81.4 mm-40 -134.95 -32.23 0.98 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.602 ' CD1' ' HA ' ' B' ' 36' ' ' ILE . 2.0 mt . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.835 0.35 . . . . 0.0 111.126 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.441 ' HG2' HG22 ' B' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.513 0.197 . . . . 0.0 111.096 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.24 146.69 32.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.8 0.333 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.432 ' HA ' HG21 ' B' ' 53' ' ' VAL . 63.3 mt-30 -52.06 -38.11 56.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.764 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.66 -42.46 97.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.363 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.588 HG23 ' N ' ' B' ' 53' ' ' VAL . 9.8 m -70.66 -37.77 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.285 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.797 ' HA ' ' CG1' ' B' ' 56' ' ' VAL . 2.4 t -57.63 -29.13 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.761 0.315 . . . . 0.0 111.036 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -72.58 -50.59 24.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.613 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 59' ' ' THR . 10.3 ttmt -64.32 -45.48 87.71 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.322 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.797 ' CG1' ' HA ' ' B' ' 53' ' ' VAL . 10.6 p -63.09 -52.07 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.439 ' CB ' HD22 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -61.41 -25.58 67.29 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.137 0.494 . . . . 0.0 109.707 178.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 22.6 mt-10 -86.65 -26.25 24.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.365 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.522 HG21 ' H ' ' D' ' 10' ' ' ILE . 54.0 m -75.64 -24.47 56.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.455 ' CD1' ' CE2' ' B' ' 76' ' ' PHE . 0.9 OUTLIER -95.9 -16.86 21.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.419 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -46.81 101.12 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.217 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -107.95 -54.01 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -141.19 37.74 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.27 7.3 26.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.696 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t70 58.6 31.82 21.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.54 28.38 10.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 27' ' ' LEU . 2.5 mt-10 -137.63 172.41 13.0 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.893 0.378 . . . . 0.0 110.477 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.453 ' HB2' ' CD2' ' B' ' 32' ' ' LEU . 1.7 t -111.63 86.85 2.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.813 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -76.17 -174.06 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.448 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.581 ' HB2' ' CD2' ' B' ' 14' ' ' PHE . 29.4 t80 -66.89 -33.06 74.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.937 0.399 . . . . 0.0 110.807 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.411 ' CG ' ' OD2' ' B' ' 69' ' ' ASP . 8.0 pt20 -76.3 -23.37 54.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.396 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -84.46 -37.18 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 111.094 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.519 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -82.88 -22.81 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.531 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.421 ' HE1' ' HA ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -72.19 -47.98 46.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -67.77 -23.91 65.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.504 ' O ' ' HG3' ' B' ' 79' ' ' MET . 1.0 OUTLIER -63.84 -72.04 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.835 179.398 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' B' ' 81' ' ' THR . 2.5 p -45.03 -32.23 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 121.319 0.58 . . . . 0.0 110.767 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' A' ' 78' ' ' ALA . . . -85.36 -39.88 17.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.386 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.512 ' N ' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -72.25 -44.16 63.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 111.002 -179.153 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.492 HG11 ' CZ2' ' D' ' 7' ' ' TRP . 60.3 t -68.47 -38.31 79.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.432 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.538 HG22 ' HB3' ' B' ' 85' ' ' HIS . 8.5 m -70.28 -59.79 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.022 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 74' ' ' MET . 69.1 p -50.2 -24.85 3.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.089 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' D' ' 6' ' ' ASP . . . -75.84 -72.72 0.3 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 5.2 p -87.88 -54.13 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.538 ' HB3' HG22 ' B' ' 81' ' ' THR . 0.9 OUTLIER -44.8 -24.5 0.21 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.046 0.45 . . . . 0.0 110.865 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tm-20 -50.75 -63.5 1.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.187 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.43 -21.25 10.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.461 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 9.3 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.236 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.74 0.305 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -98.98 -2.24 37.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.777 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.621 ' O ' ' CD1' ' C' ' 5' ' ' ILE . 0.1 OUTLIER -82.23 -2.12 51.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.512 0.196 . . . . 0.0 110.722 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.621 ' CD1' ' O ' ' C' ' 4' ' ' LYS . 2.0 pp 54.59 -7.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' C' ' 4' ' ' LYS . 10.0 t70 69.22 -25.82 0.15 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.611 ' O ' ' CB ' ' C' ' 8' ' ' ASN . 14.3 m95 -38.25 -51.88 1.48 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.724 0.693 . . . . 0.0 110.462 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' C' ' 7' ' ' TRP . 21.1 t-20 117.03 -91.52 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.431 0.693 . . . . 0.0 112.851 178.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 -36.44 11.21 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.702 HG22 ' H ' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.29 -60.17 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.775 -178.329 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.702 ' H ' HG22 ' C' ' 10' ' ' ILE . 1.6 mm? -86.88 -12.59 47.34 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.061 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.723 0.297 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -57.51 -71.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.983 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 74.9 p -98.89 -2.38 37.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.729 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.631 ' O ' ' CD1' ' D' ' 5' ' ' ILE . 0.1 OUTLIER -82.07 -2.18 51.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.489 0.185 . . . . 0.0 110.739 179.455 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.631 ' CD1' ' O ' ' D' ' 4' ' ' LYS . 2.0 pp 54.6 -7.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' D' ' 4' ' ' LYS . 9.9 t70 69.29 -25.91 0.15 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.624 ' O ' ' CB ' ' D' ' 8' ' ' ASN . 14.4 m95 -38.21 -51.91 1.46 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.737 0.699 . . . . 0.0 110.472 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.624 ' CB ' ' O ' ' D' ' 7' ' ' TRP . 21.1 t-20 116.95 -91.36 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.489 0.716 . . . . 0.0 112.927 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.8 -36.37 11.17 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.717 HG22 ' H ' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.27 -60.27 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.794 -178.364 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.717 ' H ' HG22 ' D' ' 10' ' ' ILE . 1.6 mm? -86.76 -12.63 47.56 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 176.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.051 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.87 0.367 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . 0.458 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -66.02 -36.54 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.336 0.589 . . . . 0.0 110.792 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.458 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -58.68 -22.73 57.83 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.788 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -47.12 12.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -74.2 -37.76 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.061 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.61 85.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.943 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.444 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -57.03 -55.04 39.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.098 0.475 . . . . 0.0 110.051 179.41 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 t -72.84 -20.72 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.371 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 5' ' ' LYS . . . -59.43 -43.35 93.1 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 3.5 mt -65.41 -46.34 80.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.386 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.458 HD12 HG23 ' A' ' 11' ' ' ILE . 8.1 mt -59.02 -37.13 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.787 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -56.35 -39.89 73.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 t -62.48 -65.27 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.392 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -61.14 -25.84 67.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.812 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . 0.463 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 41.9 t60 -77.03 -19.45 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -45.59 12.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.977 0.418 . . . . 0.0 110.309 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 34' ' ' GLU . 3.3 m-85 -83.2 -61.12 1.94 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.98 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -63.02 122.02 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.606 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.673 0.273 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 5.0 t-160 -134.87 -32.72 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.444 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.94 160.63 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 68' ' ' CYS . 5.6 mp -135.18 139.09 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.044 0.45 . . . . 0.0 111.005 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -91.79 179.47 5.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' N ' ' HE3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -55.54 -23.19 25.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.135 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -44.18 15.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.245 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.93 -68.14 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.537 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' A' ' 33' ' ' LYS . 1.4 tm? -49.8 -64.78 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.57 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.411 ' N ' ' CD1' ' A' ' 32' ' ' LEU . 26.7 ttmt -46.83 -43.94 18.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.548 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -47.28 -47.77 25.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.58 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.456 ' CD2' ' CD1' ' A' ' 17' ' ' TYR . 3.4 mm? -62.85 -50.26 71.65 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 121.351 0.596 . . . . 0.0 110.736 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.473 ' HA ' HD11 ' A' ' 40' ' ' LEU . 1.1 mt -47.42 -46.04 10.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.636 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -27.88 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.996 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' GLU . 31.7 t30 -71.87 -30.47 65.45 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.641 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' LEU . 5.4 mt-10 -109.08 -55.38 2.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.74 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -73.31 155.45 39.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.531 ' HA ' HG21 ' A' ' 53' ' ' VAL . 5.5 pt20 -61.81 -33.16 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.69 -44.5 85.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.524 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.522 HG21 ' N ' ' A' ' 53' ' ' VAL . 25.8 m -66.38 -35.36 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.536 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.592 ' HA ' HG21 ' A' ' 56' ' ' VAL . 2.4 t -55.73 -56.13 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-O 120.588 0.232 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.34 -39.51 57.16 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' THR . 10.3 ttmt -67.55 -42.15 83.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.539 178.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 53' ' ' VAL . 35.4 t -56.78 -62.2 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.428 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.404 ' HE3' ' N ' ' A' ' 29' ' ' LYS . 29.4 mtp -57.06 -24.11 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.29 -27.21 23.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.323 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' LYS . 37.9 m -76.11 -28.63 57.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.027 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' CD1' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -80.88 -51.11 8.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 0.0 110.697 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 t70 37.71 75.83 0.06 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.919 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -76.01 -61.26 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -174.76 35.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.95 7.74 14.86 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.633 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.45 26.47 15.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.72 18.52 5.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.957 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.28 155.78 28.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.948 0.404 . . . . 0.0 110.584 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.473 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.02 86.57 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.115 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.701 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -76.33 -172.24 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.107 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.622 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.8 t80 -74.5 -20.08 60.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.084 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -83.34 -29.04 28.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.471 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -41.28 14.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.493 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -72.79 -45.75 56.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.0 110.531 179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -62.96 -38.37 90.83 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -73.59 -24.32 60.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.774 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.73 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 79.2 t80 -68.02 -68.72 0.37 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.766 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.77 -31.04 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 121.482 0.658 . . . . 0.0 110.101 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.9 -39.79 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.962 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' MET . . . . . 0.73 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 2.0 ptt? -75.7 -44.78 40.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.655 0.264 . . . . 0.0 110.802 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.577 ' N ' ' HG3' ' A' ' 79' ' ' MET . 75.0 t -63.38 -38.13 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.119 0.485 . . . . 0.0 110.057 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.445 HG22 ' CG ' ' A' ' 85' ' ' HIS . 3.3 m -67.99 -51.42 47.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.478 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.4 m -51.1 -27.13 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.077 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' C' ' 5' ' ' ILE . . . -78.35 -70.93 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 5.3 p -87.25 -54.1 4.49 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.445 ' CG ' HG22 ' A' ' 81' ' ' THR . 5.4 t60 -46.01 -25.32 0.54 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.083 0.468 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -48.96 -64.3 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.616 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.58 -27.58 7.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.768 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 12.0 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.79 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -66.03 -36.4 83.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 110.801 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . 0.456 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -58.84 -22.71 59.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.781 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.66 -47.03 12.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -74.23 -37.73 63.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.072 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.71 -45.69 85.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.953 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.44 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -57.01 -54.96 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.998 0.427 . . . . 0.0 110.089 179.414 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 t -72.85 -20.85 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.344 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 5' ' ' LYS . . . -59.31 -43.3 92.65 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.4 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 3.4 mt -65.59 -46.14 80.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.416 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.487 HG23 HD12 ' B' ' 11' ' ' ILE . 8.1 mt -59.06 -37.15 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.793 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -56.34 -39.97 73.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.59 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.404 ' CG1' ' HG ' ' B' ' 35' ' ' LEU . 9.4 t -62.35 -65.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.526 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -60.94 -25.99 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . 0.46 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 42.0 t60 -77.02 -19.41 57.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -45.57 12.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.887 0.375 . . . . 0.0 110.248 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' B' ' 34' ' ' GLU . 3.3 m-85 -83.19 -61.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.961 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -62.98 122.03 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.614 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.608 0.242 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 5.0 t-160 -134.95 -32.66 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.437 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.71 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.95 160.58 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' B' ' 68' ' ' CYS . 5.6 mp -135.13 139.08 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.961 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -91.81 179.48 5.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.191 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.401 ' N ' ' HE3' ' B' ' 57' ' ' MET . 0.0 OUTLIER -55.66 -23.09 26.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.115 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.17 -44.1 15.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.177 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.89 -68.23 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 111.545 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' B' ' 33' ' ' LYS . 1.4 tm? -49.68 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.606 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.404 ' N ' ' CD1' ' B' ' 32' ' ' LEU . 26.7 ttmt -46.84 -43.9 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.586 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.481 ' HB3' ' CZ ' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -47.16 -47.91 23.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.617 -179.635 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.462 ' CD2' ' CD1' ' B' ' 17' ' ' TYR . 3.4 mm? -62.8 -50.28 71.62 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.288 0.566 . . . . 0.0 110.708 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.473 ' HA ' HD11 ' B' ' 40' ' ' LEU . 1.1 mt -47.44 -46.01 10.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.687 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.12 -28.02 42.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.038 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' B' ' 34' ' ' GLU . 31.8 t30 -71.95 -30.32 65.17 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.63 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' B' ' 35' ' ' LEU . 5.3 mt-10 -109.1 -55.44 2.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' B' ' 36' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.68 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -73.29 155.55 39.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.531 ' HA ' HG21 ' B' ' 53' ' ' VAL . 5.5 pt20 -61.86 -33.15 73.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.74 -44.52 85.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.481 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.513 HG21 ' N ' ' B' ' 53' ' ' VAL . 26.1 m -66.32 -35.37 74.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.537 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.6 ' HA ' HG21 ' B' ' 56' ' ' VAL . 2.4 t -55.76 -56.08 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 120.568 0.223 . . . . 0.0 110.952 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.27 -39.6 57.11 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 59' ' ' THR . 10.2 ttmt -67.57 -42.08 83.14 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.545 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.6 HG21 ' HA ' ' B' ' 53' ' ' VAL . 36.9 t -56.94 -62.1 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.434 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.401 ' HE3' ' N ' ' B' ' 29' ' ' LYS . 29.1 mtp -57.04 -24.13 51.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.512 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.2 -27.4 23.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.334 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.499 ' N ' ' O ' ' B' ' 55' ' ' LYS . 37.3 m -75.96 -28.71 58.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.447 ' CD1' ' CD1' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -80.83 -50.99 9.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.764 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 t70 37.57 75.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.909 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -76.01 -61.22 2.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 110.756 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -174.83 35.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.0 7.78 14.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.692 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.45 26.49 15.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.71 18.43 5.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.963 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.417 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -117.33 155.68 29.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.008 0.432 . . . . 0.0 110.593 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.476 ' O ' ' CD1' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -100.86 86.5 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.217 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.71 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -76.22 -172.37 2.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.097 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.628 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 4.9 t80 -74.33 -20.17 60.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.784 0.325 . . . . 0.0 111.184 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -83.33 -28.93 28.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.475 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -41.46 14.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.415 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -72.73 -45.86 56.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.296 . . . . 0.0 110.459 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -62.85 -38.44 90.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -73.56 -24.25 60.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.786 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.74 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 79.2 t80 -68.05 -68.64 0.37 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.81 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.8 -31.04 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 121.431 0.634 . . . . 0.0 110.093 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.86 -39.82 19.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.901 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' MET . . . . . 0.74 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 2.0 ptt? -75.72 -44.78 40.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.645 0.259 . . . . 0.0 110.805 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.573 ' N ' ' HG3' ' B' ' 79' ' ' MET . 74.8 t -63.39 -38.07 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.201 0.524 . . . . 0.0 110.08 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.435 HG22 ' CG ' ' B' ' 85' ' ' HIS . 3.3 m -67.94 -51.52 46.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.517 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -51.05 -27.12 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.054 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' D' ' 5' ' ' ILE . . . -78.35 -70.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 5.2 p -87.36 -54.02 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.435 ' CG ' HG22 ' B' ' 81' ' ' THR . 5.4 t60 -46.03 -25.32 0.54 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.071 0.463 . . . . 0.0 110.836 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -49.07 -64.17 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.634 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.6 -27.49 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.467 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 12.0 m-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.746 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.904 0.383 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 20.0 p -98.34 -1.9 40.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.34 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.509 ' C ' ' CD1' ' C' ' 5' ' ' ILE . 0.0 OUTLIER -79.24 -3.22 44.81 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.114 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.602 ' HB ' ' HD1' ' C' ' 7' ' ' TRP . 0.1 OUTLIER 44.68 13.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.452 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 22.4 t0 38.65 28.93 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.615 ' O ' ' HB2' ' C' ' 8' ' ' ASN . 10.1 m95 -89.15 -30.02 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.615 ' HB2' ' O ' ' C' ' 7' ' ' TRP . 3.4 m-20 80.7 -162.99 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.479 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.45 -41.63 0.09 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.542 HG13 HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -54.62 -60.28 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 118.129 0.422 . . . . 0.0 111.674 -178.406 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.567 ' HB2' ' CB ' ' C' ' 7' ' ' TRP . 1.3 mp -89.21 -14.51 35.82 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.418 ' N ' ' O ' ' C' ' 8' ' ' ASN . 93.5 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.742 0.306 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -68.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 19.8 p -98.36 -1.92 40.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.31 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.51 ' C ' ' CD1' ' D' ' 5' ' ' ILE . 0.0 OUTLIER -79.17 -3.26 44.77 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.1 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.614 ' HB ' ' HD1' ' D' ' 7' ' ' TRP . 0.1 OUTLIER 44.77 13.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.789 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.447 ' HB2' ' CB ' ' B' ' 83' ' ' ALA . 22.4 t0 38.8 28.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.617 ' O ' ' HB2' ' D' ' 8' ' ' ASN . 10.0 m95 -89.17 -30.04 18.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.617 ' HB2' ' O ' ' D' ' 7' ' ' TRP . 3.4 m-20 80.61 -163.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.506 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.37 -41.67 0.08 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.527 HG13 HG22 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -54.53 -60.4 1.53 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 122.034 -0.416 . . . . 0.0 111.687 -178.452 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.577 ' HB2' ' CB ' ' D' ' 7' ' ' TRP . 1.3 mp -89.14 -14.59 35.82 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.423 ' N ' ' O ' ' D' ' 8' ' ' ASN . 94.0 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.922 0.392 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.96 -23.28 63.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.4 -25.86 61.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.094 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.8 -44.99 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.137 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -55.72 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.603 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.49 72.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.748 0.309 . . . . 0.0 111.539 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.487 ' O ' HG13 ' A' ' 11' ' ' ILE . 22.3 ttm -48.34 -66.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.77 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.19 -19.74 24.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.655 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.07 95.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.181 0.515 . . . . 0.0 109.942 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -72.0 -37.19 69.86 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.662 179.031 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 7' ' ' MET . 3.7 mt -66.65 -41.52 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.86 -40.12 28.36 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.85 -48.5 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.033 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.526 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -70.58 -27.44 64.12 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.434 179.226 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.48 -22.15 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.42 -38.44 24.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.862 0.363 . . . . 0.0 110.46 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.412 ' CG ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 m-85 -82.8 -57.64 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -63.28 125.13 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.122 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.52 179.874 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.517 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 19.8 t-160 60.96 41.05 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.966 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.549 ' HG2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -174.84 148.44 1.08 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.176 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.621 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 2.4 mm? -129.11 138.47 51.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.189 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.5 OUTLIER -111.96 -177.72 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.297 0.57 . . . . 0.0 111.831 -178.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -58.51 -19.81 40.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.969 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -83.19 -56.63 3.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -74.75 -59.99 2.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.25 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -42.46 -62.45 0.97 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.803 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HD2' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -52.87 -63.5 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 111.179 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -51.88 -26.23 9.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.345 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.412 ' HG ' ' CG ' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -67.83 -57.2 6.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 111.092 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.41 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.6 mt -45.68 -63.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -56.52 -21.97 29.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.733 0.301 . . . . 0.0 110.875 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -84.46 -41.3 16.74 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CG ' ' CD2' ' A' ' 35' ' ' LEU . 60.4 mm-40 -90.74 -35.45 14.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 36' ' ' ILE . 7.9 mp . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.67 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HG2' HG23 ' A' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.7 0.286 . . . . 0.0 111.379 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -165.32 173.9 10.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.511 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.42 ' HA ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -74.71 -39.22 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.97 0.414 . . . . 0.0 110.997 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.87 -44.12 96.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.522 HG21 ' N ' ' A' ' 53' ' ' VAL . 25.4 m -61.53 -41.35 89.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.519 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.522 ' N ' HG21 ' A' ' 52' ' ' VAL . 3.3 t -51.96 -56.52 5.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.678 0.275 . . . . 0.0 111.057 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -48.99 -41.34 34.04 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.027 0.441 . . . . 0.0 110.088 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' THR . 8.1 ttmt -70.23 -40.97 74.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.569 178.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.76 -57.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.488 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -59.02 -22.31 60.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.006 0.431 . . . . 0.0 109.961 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.75 -29.43 23.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.91 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' C' ' 8' ' ' ASN . 2.5 m -70.88 -30.09 66.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 HD13 ' CD1' ' A' ' 76' ' ' PHE . 16.5 mt -80.25 -19.97 45.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -49.47 99.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -83.59 -59.12 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 178.03 39.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.67 -57.46 1.18 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.622 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -178.59 39.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 111.261 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.32 17.14 51.98 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.03 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.456 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -123.7 -177.48 3.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.723 0.296 . . . . 0.0 110.395 179.763 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.621 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -107.86 86.33 2.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.81 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.549 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 4.6 p-10 -84.17 -162.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.714 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 3.6 t80 -71.84 -32.8 67.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.103 0.478 . . . . 0.0 110.669 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.94 -32.45 72.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.321 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.409 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 1.4 mm-40 -78.12 -22.6 48.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.741 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 1.1 m-30 -61.99 -46.85 87.42 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 19.1 mmt -63.38 -58.18 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.382 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.63 -25.05 24.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CD1' HG21 ' A' ' 80' ' ' VAL . 41.5 t80 -74.37 -73.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.718 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 13.3 t -58.72 -19.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 74' ' ' MET . . . -81.66 -53.19 6.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.883 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.1 mtm -70.53 -45.59 65.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.229 0.538 . . . . 0.0 110.654 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.487 HG12 ' CE2' ' C' ' 7' ' ' TRP . 60.3 t -59.19 -55.21 25.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.142 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -71.57 -53.21 14.51 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.698 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.469 ' N ' ' CG2' ' A' ' 81' ' ' THR . 84.7 m -50.8 -23.44 2.75 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.03 -71.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.881 0.372 . . . . 0.0 111.679 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -53.01 5.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.015 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.423 ' CB ' ' OG1' ' A' ' 81' ' ' THR . 7.9 t60 -49.04 -22.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.943 0.401 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -49.24 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.462 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.6 -7.43 7.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 179.254 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.884 0.373 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -59.97 -23.2 63.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.4 -25.83 61.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.89 -45.02 13.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.098 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -55.77 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.56 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.99 -50.57 72.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 111.501 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.486 ' O ' HG13 ' B' ' 11' ' ' ILE . 22.3 ttm -48.34 -66.73 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.898 0.38 . . . . 0.0 110.735 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.01 -19.87 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.677 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.03 94.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.118 0.485 . . . . 0.0 109.902 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' B' ' 11' ' ' ILE . 0.8 OUTLIER -72.0 -37.18 69.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.633 179.129 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.486 HG13 ' O ' ' B' ' 7' ' ' MET . 3.7 mt -66.69 -41.52 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.92 -40.09 28.68 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . 0.405 ' CG1' ' HG3' ' B' ' 39' ' ' GLU . 41.4 t -57.82 -48.54 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.023 178.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.53 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -70.66 -27.46 64.06 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.416 179.292 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -77.5 -22.01 51.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.35 -38.44 24.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.948 0.404 . . . . 0.0 110.517 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.411 ' CG ' ' HG ' ' B' ' 35' ' ' LEU . 2.2 m-85 -82.9 -57.62 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -63.28 125.11 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 179.851 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.885 0.374 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.513 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 19.9 t-160 60.99 41.04 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.981 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.554 ' HG2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -174.91 148.49 1.05 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.135 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' B' ' 68' ' ' CYS . 2.4 mm? -129.12 138.49 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.171 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.5 OUTLIER -111.92 -177.81 3.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.263 0.554 . . . . 0.0 111.836 -178.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -58.54 -19.73 40.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.962 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.0 t -83.13 -56.66 3.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.831 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 0.5 OUTLIER -74.78 -59.92 2.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.294 -179.771 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -42.66 -62.36 1.01 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.765 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.485 ' HD2' ' CG1' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -52.89 -63.49 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 111.218 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -51.74 -26.36 9.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.435 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -67.78 -57.19 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 0.0 111.106 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.421 ' O ' HD12 ' B' ' 40' ' ' LEU . 1.6 mt -45.71 -63.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -56.48 -21.97 29.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.779 0.323 . . . . 0.0 110.939 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -84.46 -41.42 16.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.961 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.405 ' HG3' ' CG1' ' B' ' 13' ' ' VAL . 60.4 mm-40 -90.69 -35.44 14.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.421 HD12 ' O ' ' B' ' 36' ' ' ILE . 7.9 mp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.591 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.457 ' HG2' HG23 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.614 0.245 . . . . 0.0 111.309 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.431 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -165.41 173.83 10.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.47 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.437 ' HA ' HG23 ' B' ' 53' ' ' VAL . 0.3 OUTLIER -74.78 -39.17 61.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.73 -44.26 96.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.521 HG21 ' N ' ' B' ' 53' ' ' VAL . 25.4 m -61.48 -41.29 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.547 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.521 ' N ' HG21 ' B' ' 52' ' ' VAL . 3.3 t -52.0 -56.49 6.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.689 0.281 . . . . 0.0 111.088 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -49.01 -41.3 34.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.048 0.451 . . . . 0.0 110.077 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -70.27 -40.98 74.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.571 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 47.2 t -57.66 -57.77 8.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.526 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -58.99 -22.4 60.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.979 0.419 . . . . 0.0 109.963 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.64 -29.39 24.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.493 HG22 HG23 ' D' ' 10' ' ' ILE . 2.6 m -70.98 -30.15 66.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' B' ' 76' ' ' PHE . 16.5 mt -80.22 -19.82 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -49.59 99.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -83.59 -59.09 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 177.98 39.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.63 -57.53 1.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.62 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -178.61 39.26 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.771 0.319 . . . . 0.0 111.252 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.29 17.16 51.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.98 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.451 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.6 OUTLIER -123.77 -177.51 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.653 0.263 . . . . 0.0 110.351 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.617 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -107.86 86.44 2.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.839 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.554 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 4.6 p-10 -84.32 -162.08 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.656 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 3.6 t80 -71.8 -32.92 68.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.482 . . . . 0.0 110.673 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.85 -32.4 72.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.328 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.431 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 1.4 mm-40 -78.29 -22.45 48.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.743 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 1.1 m-30 -62.07 -46.83 87.4 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.405 ' O ' ' CB ' ' B' ' 78' ' ' ALA . 19.1 mmt -63.34 -58.34 7.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.308 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.58 -25.03 23.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.007 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.433 ' CD1' HG21 ' B' ' 80' ' ' VAL . 41.5 t80 -74.36 -73.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 13.3 t -58.65 -19.47 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.245 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' B' ' 74' ' ' MET . . . -81.75 -53.14 6.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.844 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.2 mtm -70.53 -45.55 65.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.323 0.583 . . . . 0.0 110.746 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.489 HG12 ' CE2' ' D' ' 7' ' ' TRP . 59.8 t -59.14 -55.26 24.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.149 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -71.61 -53.18 14.53 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.642 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.472 ' N ' ' CG2' ' B' ' 81' ' ' THR . 85.1 m -50.8 -23.43 2.75 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.0 -71.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 0.0 111.627 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -52.92 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.059 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.425 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 7.9 t60 -49.09 -22.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -49.31 -64.85 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.503 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.61 -7.36 7.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.751 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.569 179.208 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.759 0.314 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.96 -4.79 31.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.654 ' O ' HG12 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -80.68 -1.92 44.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.827 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.654 HG12 ' O ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 52.03 -7.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 123.901 0.88 . . . . 0.0 113.314 -179.373 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' C' ' 4' ' ' LYS . 22.9 t70 55.18 15.36 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.577 ' CD1' ' HB ' ' C' ' 5' ' ' ILE . 10.3 m0 -64.35 -32.54 74.19 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.713 ' O ' ' HA ' ' C' ' 12' ' ' SER . 50.0 m-20 102.21 -94.68 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.933 0.893 . . . . 0.0 113.29 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.403 ' H ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -96.26 -43.39 7.73 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -177.674 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.488 ' CG2' ' HE3' ' C' ' 7' ' ' TRP . 2.5 tp -52.05 -59.41 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.581 0.229 . . . . 0.0 110.803 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.515 ' HG ' ' CE3' ' C' ' 7' ' ' TRP . 26.7 mt -92.23 -11.53 35.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.713 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 23.3 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.053 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.696 0.284 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -71.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.987 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.95 -4.72 32.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.609 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.646 ' O ' HG12 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -80.82 -1.85 44.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.766 -0.197 . . . . 0.0 110.765 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.646 HG12 ' O ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 52.05 -7.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.924 0.89 . . . . 0.0 113.246 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.6 ' H ' ' C ' ' D' ' 4' ' ' LYS . 22.9 t70 55.26 15.38 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.588 ' CD1' ' HB ' ' D' ' 5' ' ' ILE . 10.3 m0 -64.5 -32.45 74.09 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.716 ' O ' ' HA ' ' D' ' 12' ' ' SER . 50.0 m-20 102.1 -94.68 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.913 0.885 . . . . 0.0 113.295 178.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -43.43 7.73 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -177.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.493 HG23 HG22 ' B' ' 59' ' ' THR . 2.5 tp -52.04 -59.36 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.501 0.191 . . . . 0.0 110.776 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.519 ' HG ' ' CE3' ' D' ' 7' ' ' TRP . 26.5 mt -92.31 -11.53 34.88 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.716 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 23.3 t . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.967 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.807 0.337 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.16 -24.68 63.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -52.41 61.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -40.38 65.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -61.24 -57.39 12.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.4 ' HA ' ' HB1' ' A' ' 9' ' ' ALA . . . -56.66 -50.23 72.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' MET . . . . . 0.528 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.7 ttm -47.92 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 t -69.66 -17.13 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.853 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' ' 6' ' ' ALA . . . -61.21 -43.52 98.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.251 0.548 . . . . 0.0 109.78 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -71.44 -38.51 71.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.477 178.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 7' ' ' MET . 2.7 mt -66.49 -33.1 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -51.74 -47.87 63.87 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.518 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 t -55.11 -43.9 72.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.018 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -72.07 -28.1 63.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.891 178.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -66.62 -20.75 66.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.02 -51.86 6.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.997 0.427 . . . . 0.0 109.913 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CE2' HD13 ' A' ' 35' ' ' LEU . 20.0 m-85 -84.63 -65.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.508 ' CB ' ' CD2' ' A' ' 14' ' ' PHE . 1.9 t -51.94 133.53 32.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.525 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.653 ' HA2' ' HB3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.468 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.238 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.653 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.919 0.39 . . . . 0.0 111.043 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' HIS . . . . . 0.587 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.5 t-160 -165.39 52.39 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.82 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 1.5 mtpp -164.02 168.38 19.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.365 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -133.16 137.91 46.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.179 178.87 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -93.7 179.54 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -52.69 -34.89 54.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.484 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -84.05 -37.42 22.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.738 -179.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -67.44 0.53 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.447 ' N ' ' HB3' ' A' ' 27' ' ' LEU . 3.1 tm? -50.88 -61.03 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.974 0.416 . . . . 0.0 111.207 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HG3' ' CG1' ' A' ' 53' ' ' VAL . 26.0 ttmt -50.6 -33.73 23.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.338 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.596 ' HB3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -56.56 -45.3 81.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . 0.538 HD13 ' CE2' ' A' ' 17' ' ' TYR . 2.7 mm? -60.19 -44.55 94.99 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 121.378 0.608 . . . . 0.0 110.643 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ILE . . . . . 0.532 ' HA ' HD11 ' A' ' 40' ' ' LEU . 1.7 mt -52.03 -50.98 32.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.826 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.57 -19.54 52.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.693 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' GLU . 57.3 t30 -82.32 -29.4 31.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.673 0.273 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -117.62 -38.67 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.434 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 36' ' ' ILE . 1.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.051 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.902 0.382 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 24.1 mt-10 -120.91 172.15 8.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' A' ' 53' ' ' VAL . 1.2 pt20 -74.12 -33.62 63.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.001 0.429 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.9 -44.46 85.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.596 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 53' ' ' VAL . 15.1 m -63.98 -40.63 89.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.677 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 49' ' ' GLU . 1.6 t -53.62 -54.87 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.807 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -37.27 40.13 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HB3' HG12 ' C' ' 10' ' ' ILE . 0.9 OUTLIER -74.4 -34.78 63.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.156 178.281 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 70.0 t -60.95 -62.67 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.767 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -55.0 -29.78 58.06 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.98 0.419 . . . . 0.0 110.131 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 57' ' ' MET . 1.6 mt-10 -75.0 -31.32 61.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.493 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' THR . . . . . 0.515 ' OG1' ' HB ' ' C' ' 10' ' ' ILE . 60.0 m -72.0 -17.39 62.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.34 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -104.04 -24.04 13.25 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.663 179.288 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -44.05 124.9 4.1 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.586 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -121.04 -40.74 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.817 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -162.39 52.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' HA3' ' HE2' ' A' ' 26' ' ' LYS . . . -124.4 0.77 8.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.861 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.28 13.54 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.588 0.233 . . . . 0.0 111.215 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.65 -3.42 8.7 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.176 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -96.69 172.58 7.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.0 0.429 . . . . 0.0 110.438 179.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . 0.509 ' O ' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -128.91 85.83 2.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.643 179.541 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . 0.526 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 1.1 p-10 -77.65 -156.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.484 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' PHE . . . . . 0.461 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -73.32 -44.56 58.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.923 0.392 . . . . 0.0 111.088 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 1.4 pt20 -56.7 -30.02 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.507 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 1.5 mm-40 -72.46 -33.2 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.3 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -55.3 -42.93 74.33 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.651 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' MET . . . . . 0.442 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 24.8 mmm -58.74 -58.22 9.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.139 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.54 -23.5 27.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' PHE . . . . . 0.47 ' CD1' HD11 ' A' ' 60' ' ' LEU . 20.3 t80 -75.76 -74.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.236 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.7 m -58.46 -27.16 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.383 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 74' ' ' MET . . . -75.68 -45.97 33.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.5 mtm -76.52 -54.71 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.442 . . . . 0.0 111.28 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HA ' ' CD1' ' C' ' 7' ' ' TRP . 95.1 t -53.32 -55.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.087 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 82' ' ' THR . 0.6 OUTLIER -63.93 -48.3 77.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.73 -178.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.421 ' N ' ' CG2' ' A' ' 81' ' ' THR . 27.6 m -55.22 -20.56 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.597 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.74 -72.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.411 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 p -87.94 -50.98 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.034 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' HIS . . . . . 0.459 ' CD2' ' CZ ' ' B' ' 70' ' ' PHE . 2.9 t60 -47.58 -26.1 1.35 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.968 0.414 . . . . 0.0 110.67 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -44.73 -64.13 0.76 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.437 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.95 -20.03 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.743 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' C' ' 3' ' ' THR . 11.7 m-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.903 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.779 0.323 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.97 -24.75 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -52.44 62.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -40.32 65.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -61.2 -57.51 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' ALA . . . . . 0.404 ' HA ' ' HB1' ' B' ' 9' ' ' ALA . . . -56.42 -50.44 71.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' MET . . . . . 0.522 ' O ' HG13 ' B' ' 11' ' ' ILE . 2.7 ttm -47.91 -66.4 0.41 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.72 -17.11 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.896 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' B' ' 6' ' ' ALA . . . -61.13 -43.68 98.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 0.0 109.767 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' B' ' 73' ' ' PHE . 0.8 OUTLIER -71.27 -38.63 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.549 178.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 7' ' ' MET . 2.7 mt -66.53 -33.04 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -51.66 -47.85 63.63 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.62 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 t -55.12 -43.92 72.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.036 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -72.06 -28.14 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.899 178.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -66.6 -20.78 66.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.946 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.04 -51.9 6.73 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' TYR . . . . . 0.547 ' CE2' HD13 ' B' ' 35' ' ' LEU . 20.4 m-85 -84.6 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' SER . . . . . 0.508 ' CB ' ' CD2' ' B' ' 14' ' ' PHE . 2.0 t -51.94 133.49 32.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.511 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' GLY . . . . . 0.636 ' HA2' ' HB3' ' B' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.195 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' LYS . . . . . 0.636 ' HB3' ' HA2' ' B' ' 19' ' ' GLY . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.884 0.373 . . . . 0.0 111.099 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' HIS . . . . . 0.586 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 3.5 t-160 -165.37 52.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.776 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 1.4 mtpp -164.11 168.27 19.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LEU . . . . . 0.513 HD22 ' O ' ' B' ' 68' ' ' CYS . 0.5 OUTLIER -132.99 137.91 46.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.789 0.328 . . . . 0.0 110.213 178.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -93.69 179.51 5.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.198 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -52.7 -34.95 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.399 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' SER . . . . . 0.584 ' O ' ' HB3' ' B' ' 34' ' ' GLU . 0.9 OUTLIER -84.04 -37.34 22.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.729 -179.608 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -67.45 0.53 Allowed 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' LEU . . . . . 0.443 ' N ' ' HB3' ' B' ' 27' ' ' LEU . 3.1 tm? -50.72 -61.0 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.098 0.475 . . . . 0.0 111.294 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LYS . . . . . 0.428 ' HG3' ' CG1' ' B' ' 53' ' ' VAL . 26.1 ttmt -50.77 -33.65 24.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.267 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.584 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -56.64 -45.32 81.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.042 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LEU . . . . . 0.547 HD13 ' CE2' ' B' ' 17' ' ' TYR . 2.7 mm? -60.04 -44.55 94.59 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 121.444 0.64 . . . . 0.0 110.748 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ILE . . . . . 0.55 ' HA ' HD11 ' B' ' 40' ' ' LEU . 1.7 mt -52.15 -50.96 33.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.724 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.61 -19.45 52.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.718 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 34' ' ' GLU . 57.4 t30 -82.39 -29.3 30.93 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.081 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 35' ' ' LEU . 18.7 mt-10 -117.77 -38.6 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.364 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' B' ' 36' ' ' ILE . 1.1 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.014 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' LYS . . . . . 0.416 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.815 0.341 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' GLU . . . . . 0.442 ' O ' ' CG2' ' B' ' 53' ' ' VAL . 24.0 mt-10 -120.78 172.14 8.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.396 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' GLN . . . . . 0.414 ' HA ' HG22 ' B' ' 53' ' ' VAL . 1.2 pt20 -74.25 -33.55 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.89 -44.54 84.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.527 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' B' ' 56' ' ' VAL . 15.0 m -63.97 -40.68 89.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.663 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' B' ' 49' ' ' GLU . 1.6 t -53.52 -54.85 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.85 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.88 -37.15 41.88 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' LYS . . . . . 0.424 ' HB3' HG12 ' D' ' 10' ' ' ILE . 0.9 OUTLIER -74.34 -34.79 63.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.148 178.191 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 69.8 t -60.98 -62.65 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.697 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' B' ' 58' ' ' GLU . 0.0 OUTLIER -55.14 -29.7 58.28 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-O 120.995 0.426 . . . . 0.0 110.101 179.093 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' B' ' 57' ' ' MET . 1.6 mt-10 -74.98 -31.26 61.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.514 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' THR . . . . . 0.504 ' OG1' ' HB ' ' D' ' 10' ' ' ILE . 58.8 m -72.03 -17.38 62.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.317 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -104.09 -24.04 13.24 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.598 179.324 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -43.98 124.93 4.07 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.545 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -121.03 -40.79 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -162.39 52.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' GLY . . . . . 0.414 ' HA3' ' HE2' ' B' ' 26' ' ' LYS . . . -124.48 0.84 8.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.845 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.21 13.61 9.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.668 0.271 . . . . 0.0 111.245 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.6 -3.52 8.73 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.227 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -96.7 172.67 7.75 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.971 0.415 . . . . 0.0 110.445 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' CYS . . . . . 0.522 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 0.1 OUTLIER -128.97 85.7 2.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.684 179.617 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' ASP . . . . . 0.544 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 1.1 p-10 -77.52 -156.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.504 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 0.4 OUTLIER -73.36 -44.5 58.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.968 0.413 . . . . 0.0 111.134 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 1.4 pt20 -56.67 -30.08 63.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.962 0.41 . . . . 0.0 110.917 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLU . . . . . 0.522 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 1.5 mm-40 -72.47 -33.16 66.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.269 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 0.5 OUTLIER -55.36 -42.83 74.44 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' MET . . . . . 0.443 ' O ' ' CB ' ' B' ' 78' ' ' ALA . 24.2 mmm -58.83 -58.27 9.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.198 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.44 -23.51 25.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' PHE . . . . . 0.472 ' CD1' HD11 ' B' ' 60' ' ' LEU . 20.4 t80 -75.82 -74.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.191 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.7 m -58.29 -27.2 32.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.429 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' B' ' 74' ' ' MET . . . -75.77 -46.01 33.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 26.7 mtm -76.42 -54.83 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.438 . . . . 0.0 111.267 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' VAL . . . . . 0.447 HG13 ' CZ2' ' D' ' 7' ' ' TRP . 94.0 t -53.2 -55.83 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.068 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' B' ' 82' ' ' THR . 0.6 OUTLIER -63.97 -48.41 76.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.672 -178.831 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' B' ' 81' ' ' THR . 27.5 m -55.17 -20.59 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.54 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.64 -72.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.353 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 p -87.88 -51.05 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.059 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' HIS . . . . . 0.441 ' CD2' ' CZ ' ' A' ' 70' ' ' PHE . 2.9 t60 -47.39 -26.27 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.907 0.384 . . . . 0.0 110.685 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -44.56 -64.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.527 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.97 -19.92 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.718 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.461 ' CZ ' ' HB ' ' D' ' 3' ' ' THR . 11.8 m-85 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.902 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.9 0.381 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' THR . . . . . 0.46 ' HB ' ' CZ ' ' A' ' 88' ' ' PHE . 10.6 t -98.43 1.68 47.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.297 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' LYS . . . . . 0.539 ' C ' ' CD1' ' C' ' 5' ' ' ILE . 0.0 OUTLIER -85.8 -2.39 58.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.014 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' C' ' 7' ' ' TRP . 0.2 OUTLIER 31.31 41.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.629 0.728 . . . . 0.0 111.14 -179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' ASP . . . . . 0.484 ' HB2' ' HD3' ' C' ' 4' ' ' LYS . 4.8 t0 -59.61 78.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.686 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' TRP . . . . . 0.577 ' CE3' HG22 ' C' ' 10' ' ' ILE . 18.8 m0 -79.02 -54.34 6.12 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 177.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' ASN . . . . . 0.466 ' HB3' ' H ' ' C' ' 9' ' ' LYS . 6.4 t-20 178.36 -100.57 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.477 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' LYS . . . . . 0.466 ' H ' ' HB3' ' C' ' 8' ' ' ASN . 0.0 OUTLIER -98.46 -33.16 11.13 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -179.395 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' ILE . . . . . 0.59 HG23 ' N ' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.77 -55.08 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.931 -178.288 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' LEU . . . . . 0.59 ' N ' HG23 ' C' ' 10' ' ' ILE . 3.5 mm? -89.02 -33.5 17.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' SER . . . . . 0.454 ' OXT' ' CE ' ' C' ' 4' ' ' LYS . 46.0 t . . . . . 0 C--O 1.248 0.996 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.119 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.75 0.309 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -71.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.654 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 3' ' ' THR . . . . . 0.461 ' HB ' ' CZ ' ' B' ' 88' ' ' PHE . 10.7 t -98.44 1.69 47.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.362 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 4' ' ' LYS . . . . . 0.528 ' C ' ' CD1' ' D' ' 5' ' ' ILE . 0.0 OUTLIER -85.84 -2.36 58.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.082 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 5' ' ' ILE . . . . . 0.549 ' O ' ' CD1' ' D' ' 7' ' ' TRP . 0.2 OUTLIER 31.36 41.73 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.585 0.707 . . . . 0.0 111.149 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' ASP . . . . . 0.476 ' HB2' ' HD3' ' D' ' 4' ' ' LYS . 4.8 t0 -59.62 78.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.737 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' TRP . . . . . 0.584 ' CE3' HG22 ' D' ' 10' ' ' ILE . 18.9 m0 -79.05 -54.26 6.19 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' ASN . . . . . 0.448 ' CB ' ' CG2' ' B' ' 59' ' ' THR . 6.4 t-20 178.31 -100.52 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.466 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' LYS . . . . . 0.42 ' H ' ' HB3' ' D' ' 8' ' ' ASN . 0.0 OUTLIER -98.55 -33.14 11.1 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' ILE . . . . . 0.592 HG23 ' N ' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.74 -55.15 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.916 -178.271 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' LEU . . . . . 0.592 ' N ' HG23 ' D' ' 10' ' ' ILE . 3.5 mm? -88.91 -33.52 17.27 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 12' ' ' SER . . . . . 0.458 ' OXT' ' CE ' ' D' ' 4' ' ' LYS . 46.3 t . . . . . 0 C--O 1.248 0.999 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.099 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.783 0.325 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.444 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.4 OUTLIER -60.17 -34.34 73.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.947 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.444 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 3.1 mp -60.37 -26.18 66.43 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.51 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.08 -37.4 22.1 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.359 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -81.97 -40.03 22.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.635 0.255 . . . . 0.0 110.524 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . . . -64.6 -37.33 87.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.838 0.351 . . . . 0.0 110.427 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.421 ' O ' HG13 ' A' ' 11' ' ' ILE . 5.0 mtt -60.0 -61.03 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.117 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.7 -22.93 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.079 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' HB3' ' HA ' ' A' ' 6' ' ' ALA . . . -57.17 -41.62 79.6 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.247 0.546 . . . . 0.0 109.632 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 3.1 mt -68.99 -48.42 63.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.856 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.448 ' CD1' ' CE1' ' B' ' 85' ' ' HIS . 7.7 mt -53.69 -53.12 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.368 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.81 -41.05 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.328 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.36 -45.43 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.346 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.475 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -82.3 -35.28 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.774 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -70.41 -22.37 62.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -84.08 -46.71 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.364 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.439 ' CZ ' ' HG ' ' A' ' 35' ' ' LEU . 5.5 m-85 -82.78 -59.5 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -61.43 124.68 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.71 44.81 0.37 Allowed Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.655 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mtm105 -105.28 -45.8 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.04 -48.93 74.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.094 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.58 -54.57 0.4 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.534 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.91 -39.01 83.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mttm 62.67 -170.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.72 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 22.7 t-160 57.24 37.96 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.062 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.72 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -165.18 149.3 8.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.931 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.731 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 2.2 mp -137.47 132.48 33.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.954 0.407 . . . . 0.0 111.607 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -93.06 172.83 8.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.69 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 20.4 mttt -49.39 -28.78 5.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -83.21 -39.75 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.074 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.496 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.7 mm-40 -67.62 -45.09 76.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.524 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.22 -63.42 1.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 0.8 OUTLIER -46.33 -65.14 0.6 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.68 -179.161 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -47.2 -46.37 23.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.21 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.496 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.3 OUTLIER -58.54 -46.43 86.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.13 0.49 . . . . 0.0 110.581 179.762 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 40' ' ' LEU . 1.8 mt -59.61 -51.24 75.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.953 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.62 -14.93 63.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.167 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -88.13 -47.31 8.58 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.25 -38.41 12.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.479 ' N ' ' O ' ' A' ' 36' ' ' ILE . 0.3 OUTLIER -109.13 77.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.89 -27.75 14.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -105.36 -24.37 12.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -130.3 82.39 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.358 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.23 -71.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 179.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 68.34 -64.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.463 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' HB2' ' CZ ' ' A' ' 76' ' ' PHE . 3.0 pm0 -75.87 -4.03 38.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.884 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.478 ' CG2' ' CG2' ' A' ' 53' ' ' VAL . 4.4 mm -141.56 112.61 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.785 0.326 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 -87.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.499 ' O ' HG22 ' A' ' 52' ' ' VAL . 2.1 mt-10 -94.09 -176.64 4.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.617 0.246 . . . . 0.0 110.535 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -76.31 -40.51 51.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.886 0.374 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.97 -41.88 95.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.3 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.499 HG22 ' O ' ' A' ' 49' ' ' GLU . 18.2 m -60.8 -44.43 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.216 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.479 ' CG2' ' O ' ' A' ' 49' ' ' GLU . 1.5 t -51.73 -51.18 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.627 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -47.39 -45.48 25.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.999 0.428 . . . . 0.0 109.976 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.407 ' HB3' ' CD1' ' C' ' 10' ' ' ILE . 0.6 OUTLIER -71.39 -35.75 71.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.487 178.507 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' CG1' ' CZ ' ' A' ' 76' ' ' PHE . 98.1 t -59.12 -56.3 17.94 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.06 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.303 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.46 -26.35 67.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.037 0.446 . . . . 0.0 109.957 179.121 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.32 -31.63 48.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.304 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.558 ' CG2' ' HB2' ' C' ' 8' ' ' ASN . 8.3 m -64.32 -20.66 66.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.946 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.453 ' CD1' ' CD1' ' A' ' 76' ' ' PHE . 1.2 mp -109.77 -9.82 14.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.458 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.95 102.09 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.899 0.38 . . . . 0.0 111.103 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -114.82 -35.11 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.726 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 -94.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.83 22.45 6.43 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.11 22.81 13.06 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.84 -53.27 0.81 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.943 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.731 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 1.8 pt-20 -148.64 -176.03 5.16 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.491 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 1.5 m -118.57 121.79 41.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.429 ' HA ' ' HA ' ' A' ' 26' ' ' LYS . 30.1 p30 -93.88 -153.84 0.39 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.222 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.5 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.9 t80 -72.48 -34.91 68.02 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.661 0.267 . . . . 0.0 111.3 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.428 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -74.16 -25.49 59.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.827 -179.187 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.415 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 39.4 mm-40 -79.7 -39.81 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 111.252 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.5 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -77.97 -32.93 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.398 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.412 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -62.23 -42.84 99.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.01 62.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.028 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.453 ' CZ ' ' CG1' ' A' ' 56' ' ' VAL . 25.4 t80 -66.97 -70.73 0.23 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.823 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.516 ' O ' ' HB ' ' A' ' 81' ' ' THR . 1.1 p -48.6 -29.6 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.665 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.92 -46.06 13.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.952 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.88 -55.28 20.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.36 0.6 . . . . 0.0 110.102 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.468 ' CG1' ' CZ2' ' C' ' 7' ' ' TRP . 78.7 t -56.8 -37.45 53.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.923 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.516 ' HB ' ' O ' ' A' ' 77' ' ' VAL . 8.7 m -78.07 -65.2 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.432 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 34.3 m -44.19 -27.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.466 -178.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' C' ' 5' ' ' ILE . . . -82.3 -66.45 0.89 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -52.25 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.455 ' CE1' ' CD1' ' B' ' 11' ' ' ILE . 0.1 OUTLIER -48.58 -21.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.474 . . . . 0.0 110.663 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.96 -64.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.56 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.69 -15.95 11.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.077 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.73 -14.13 49.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.181 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.445 ' HB3' ' O ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -48.57 -28.97 3.77 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.771 0.32 . . . . 0.0 111.317 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -70.54 -48.06 57.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.861 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.761 0.315 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.44 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.4 OUTLIER -60.1 -34.47 73.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.397 0.618 . . . . 0.0 110.96 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.44 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 3.0 mp -60.26 -26.17 66.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.447 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -84.09 -37.37 22.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.615 0.245 . . . . 0.0 111.369 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' B' ' 4' ' ' GLU . 0.1 OUTLIER -82.03 -39.9 22.84 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.551 179.636 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.456 ' HA ' ' HB3' ' B' ' 9' ' ' ALA . . . -64.68 -37.32 87.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.931 0.396 . . . . 0.0 110.492 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.421 ' O ' HG13 ' B' ' 11' ' ' ILE . 5.0 mtt -60.01 -60.96 2.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.201 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.67 -23.03 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.456 ' HB3' ' HA ' ' B' ' 6' ' ' ALA . . . -57.19 -41.5 79.44 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.248 0.547 . . . . 0.0 109.692 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.408 ' HB3' ' CZ ' ' B' ' 73' ' ' PHE . 3.1 mt -69.06 -48.36 63.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.899 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.455 ' CD1' ' CE1' ' A' ' 85' ' ' HIS . 7.8 mt -53.79 -53.06 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.376 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.85 -41.01 61.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.361 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 21.9 t -57.31 -45.45 85.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.371 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.491 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -82.25 -35.43 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.731 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.444 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.0 OUTLIER -70.27 -22.47 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -84.04 -46.62 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.996 0.427 . . . . 0.0 110.461 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.437 ' CE2' ' HG ' ' B' ' 35' ' ' LEU . 5.5 m-85 -82.95 -59.39 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -61.39 124.64 21.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.51 45.65 0.35 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.541 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mtm105 -106.14 -45.64 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.083 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.2 -48.76 74.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.47 -54.52 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.563 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.87 -39.0 83.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.885 0.374 . . . . 0.0 110.787 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 mttm 62.55 -170.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.716 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 22.7 t-160 57.13 38.03 28.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.067 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.716 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -165.17 149.32 8.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.931 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 2.2 mp -137.49 132.53 33.42 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 111.621 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -93.1 172.86 8.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.667 -179.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.481 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 20.3 mttt -49.41 -28.85 5.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.277 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -83.09 -39.72 20.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.188 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.501 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.7 mm-40 -67.62 -45.11 76.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.489 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.19 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.481 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 0.8 OUTLIER -46.38 -65.1 0.6 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.684 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -47.17 -46.46 23.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.138 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.501 ' HB2' ' O ' ' B' ' 31' ' ' GLU . 0.3 OUTLIER -58.46 -46.46 86.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.153 0.501 . . . . 0.0 110.625 179.763 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.484 HG23 HD12 ' B' ' 36' ' ' ILE . 1.8 mt -59.54 -51.35 73.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.056 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.54 -14.88 63.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.183 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -88.09 -47.3 8.6 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.3 -38.42 12.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.21 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.458 ' N ' ' O ' ' B' ' 36' ' ' ILE . 0.3 OUTLIER -109.15 77.57 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.98 -27.68 14.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -105.42 -24.4 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -130.27 82.47 2.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.306 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt -89.27 -71.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.386 179.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 68.43 -64.16 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.463 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.436 ' HB2' ' CZ ' ' B' ' 76' ' ' PHE . 3.0 pm0 -75.94 -4.08 39.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.846 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.481 ' CG2' ' CG2' ' B' ' 53' ' ' VAL . 4.4 mm -141.59 112.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.851 0.358 . . . . 0.0 110.532 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.87 -87.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -179.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.501 ' O ' HG22 ' B' ' 52' ' ' VAL . 2.1 mt-10 -94.19 -176.64 4.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.694 0.283 . . . . 0.0 110.483 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -76.36 -40.52 50.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.96 -41.82 95.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.273 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.501 HG22 ' O ' ' B' ' 49' ' ' GLU . 18.3 m -60.69 -44.63 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.187 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.481 ' CG2' ' CG2' ' B' ' 47' ' ' ILE . 1.5 t -51.6 -51.24 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -47.44 -45.39 25.64 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.047 0.451 . . . . 0.0 110.022 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.406 ' HB3' ' CD1' ' D' ' 10' ' ' ILE . 0.6 OUTLIER -71.4 -35.83 71.15 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.443 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.455 ' CG1' ' CZ ' ' B' ' 76' ' ' PHE . 98.1 t -59.11 -56.2 18.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -61.6 -26.28 67.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.998 0.428 . . . . 0.0 109.92 179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.3 -31.69 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.293 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.56 ' CG2' ' HB2' ' D' ' 8' ' ' ASN . 8.3 m -64.21 -20.73 66.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.966 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.46 ' CD1' ' CD1' ' B' ' 76' ' ' PHE . 1.2 mp -109.77 -9.77 14.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.475 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.94 102.11 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -114.9 -35.07 4.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.709 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.37 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.975 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.79 22.48 6.44 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.0 23.01 13.21 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.97 -53.25 0.81 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.936 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.742 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 1.8 pt-20 -148.63 -175.99 5.15 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.68 0.24 . . . . 0.0 110.394 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' B' ' 27' ' ' LEU . 1.5 m -118.59 121.83 41.14 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.731 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.425 ' OD1' ' CG ' ' B' ' 71' ' ' GLN . 30.1 p30 -93.8 -153.85 0.38 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.222 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.505 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 4.9 t80 -72.5 -34.91 67.97 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.693 0.283 . . . . 0.0 111.315 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.425 ' CG ' ' OD1' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -74.19 -25.54 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.77 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 39.8 mm-40 -79.6 -39.86 30.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.235 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.505 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -77.94 -33.0 51.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.376 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.414 ' HG3' ' CZ ' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -62.18 -42.81 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 0.0 109.984 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.0 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.032 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.46 ' CD1' ' CD1' ' B' ' 60' ' ' LEU . 25.3 t80 -66.92 -70.76 0.23 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.813 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.515 ' O ' ' HB ' ' B' ' 81' ' ' THR . 1.1 p -48.7 -29.58 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.621 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.96 -45.95 13.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.929 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.93 -55.31 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.431 0.634 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.468 ' CG1' ' CZ2' ' D' ' 7' ' ' TRP . 79.4 t -56.73 -37.52 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.935 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.515 ' HB ' ' O ' ' B' ' 77' ' ' VAL . 8.7 m -78.02 -65.18 1.01 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.443 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 33.9 m -44.17 -27.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.531 -178.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' D' ' 5' ' ' ILE . . . -82.36 -66.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 -52.11 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.457 ' O ' ' HB3' ' B' ' 89' ' ' GLU . 0.1 OUTLIER -48.69 -21.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.084 0.469 . . . . 0.0 110.569 179.453 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.9 -64.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.612 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.73 -15.95 11.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.74 -14.18 49.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.457 ' HB3' ' O ' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -48.55 -29.02 3.79 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.778 0.323 . . . . 0.0 111.261 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -70.48 -48.14 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.903 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.762 0.315 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 -58.61 -71.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 51.0 m -98.59 -1.23 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.67 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.696 ' O ' ' CD1' ' C' ' 5' ' ' ILE . 2.2 tmtt? -85.95 -0.87 56.56 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.722 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.696 ' CD1' ' O ' ' C' ' 4' ' ' LYS . 2.2 pp 57.15 -14.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.354 1.061 . . . . 0.0 113.82 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.539 ' H ' ' C ' ' C' ' 4' ' ' LYS . 23.5 t0 69.09 -10.11 0.55 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 177.059 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.577 ' H ' HD11 ' C' ' 5' ' ' ILE . 6.9 m0 -50.89 -70.35 0.09 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.989 0.813 . . . . 0.0 109.567 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.615 ' O ' ' HA ' ' C' ' 12' ' ' SER . 0.6 OUTLIER 150.36 -93.43 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 177.633 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -97.29 -36.83 10.28 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -177.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.48 HG22 ' HG ' ' C' ' 11' ' ' LEU . 1.5 tp -52.76 -60.07 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 O-C-N 122.283 -0.26 . . . . 0.0 111.433 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.519 ' HB2' ' CD1' ' C' ' 5' ' ' ILE . 11.2 mt -93.39 -29.27 15.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.202 0.525 . . . . 0.0 109.9 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.615 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 7.4 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.825 0.345 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -58.52 -71.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.048 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 51.2 m -98.59 -1.11 41.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.551 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.687 ' O ' ' CD1' ' D' ' 5' ' ' ILE . 2.2 tmtt? -86.1 -0.86 56.65 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.607 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.687 ' CD1' ' O ' ' D' ' 4' ' ' LYS . 2.2 pp 57.22 -14.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.325 1.05 . . . . 0.0 113.747 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.558 ' H ' ' C ' ' D' ' 4' ' ' LYS . 23.5 t0 69.15 -10.1 0.55 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 177.099 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.579 ' H ' HD11 ' D' ' 5' ' ' ILE . 6.9 m0 -50.9 -70.28 0.09 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.085 0.857 . . . . 0.0 109.575 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.62 ' O ' ' HA ' ' D' ' 12' ' ' SER . 0.6 OUTLIER 150.38 -93.57 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 177.701 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 1.8 tmmm? -97.23 -36.79 10.32 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.491 HG22 ' HG ' ' D' ' 11' ' ' LEU . 1.6 tp -52.74 -60.08 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 122.405 -0.184 . . . . 0.0 111.467 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.518 ' HB2' ' CD1' ' D' ' 5' ' ' ILE . 11.2 mt -93.38 -29.32 15.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.195 0.521 . . . . 0.0 109.894 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.62 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 7.2 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.802 0.334 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.466 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.6 OUTLIER -61.97 -35.93 79.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.194 0.521 . . . . 0.0 110.847 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.466 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 0.2 OUTLIER -47.33 -44.47 23.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.567 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.71 -39.58 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.923 -179.763 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -59.74 -49.14 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.811 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.96 -47.85 76.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -56.49 -49.81 73.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.7 t -78.78 -21.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.595 -179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.29 -39.13 93.72 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.467 0.651 . . . . 0.0 109.276 179.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 5.4 mt -68.98 -48.49 62.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.746 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.44 HG12 ' CE2' ' A' ' 70' ' ' PHE . 18.1 mt -63.88 -40.15 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -38.17 67.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 24.2 t -63.64 -55.96 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.74 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -72.65 -28.68 62.88 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.323 -179.393 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.495 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.4 t-80 -70.69 -20.72 62.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 111.204 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -41.56 16.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.626 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.519 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 1.8 m-85 -83.19 -56.99 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.38 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 18.4 p -49.6 -44.02 46.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.376 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.09 -28.95 4.44 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.143 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -59.29 -54.84 42.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.82 0.343 . . . . 0.0 110.989 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -57.44 171.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.77 -21.47 71.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.591 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.97 -41.89 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt 58.64 67.82 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.637 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.418 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 2.3 t-160 -179.88 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.038 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.715 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.32 159.6 17.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.259 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.622 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 1.3 mm? -134.97 133.9 39.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.833 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.36 174.36 9.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.439 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -52.0 -27.87 14.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -82.96 -36.65 24.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -72.6 -64.13 1.02 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.749 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -48.26 -46.9 36.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.445 ' HD2' ' CG1' ' A' ' 53' ' ' VAL . 0.0 OUTLIER -55.74 -38.8 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.936 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 3.1 mm-40 -62.7 -58.92 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.417 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.519 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 1.2 mm? -46.24 -35.52 5.3 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.022 0.439 . . . . 0.0 111.479 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -56.75 -63.72 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -71.22 -11.02 60.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.535 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.442 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 22.5 t30 -91.97 -18.95 22.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.4 OUTLIER -147.64 50.01 1.07 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.407 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 72.6 mt -154.26 87.45 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 110.844 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.6 m 55.51 25.44 7.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 55.19 30.3 14.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -173.97 -170.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.13 90.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.86 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.12 -60.73 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -85.02 2.54 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.35 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 53' ' ' VAL . 12.2 pt -123.58 88.75 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.557 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -60.87 -14.29 21.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.522 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.403 ' O ' HG23 ' A' ' 52' ' ' VAL . 4.1 tt0 -166.94 173.01 9.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.913 0.387 . . . . 0.0 110.755 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.413 ' HA ' HG21 ' A' ' 53' ' ' VAL . 4.9 tt0 -73.67 -36.16 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.94 90.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.391 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.514 HG22 ' N ' ' A' ' 53' ' ' VAL . 34.4 m -63.22 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.349 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.514 ' N ' HG22 ' A' ' 52' ' ' VAL . 2.6 t -54.1 -56.73 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 120.693 0.282 . . . . 0.0 111.004 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.08 -40.0 44.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.025 0.44 . . . . 0.0 110.045 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.409 ' HB3' ' CG1' ' C' ' 10' ' ' ILE . 1.6 ttmm -73.84 -30.6 62.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.724 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.412 HG22 ' HA ' ' A' ' 53' ' ' VAL . 93.3 t -65.0 -59.12 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.986 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -60.96 -28.41 68.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.022 0.439 . . . . 0.0 109.935 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.91 -31.71 51.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.366 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.571 HG21 ' HB2' ' C' ' 8' ' ' ASN . 35.0 m -76.67 -16.58 59.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.709 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' CD1' ' CD1' ' A' ' 76' ' ' PHE . 12.4 mt -101.06 -9.61 21.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.353 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -38.83 99.28 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.0 0.429 . . . . 0.0 111.695 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 10.6 t-20 -72.95 -8.64 56.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.275 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER 80.18 30.01 0.24 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.913 0.387 . . . . 0.0 110.531 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.24 -36.65 8.74 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.441 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -173.24 37.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.4 18.13 42.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.656 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.622 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -139.63 -174.47 3.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 27' ' ' LEU . 34.8 m -109.43 118.58 37.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.715 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -101.17 -167.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.63 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.628 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -73.1 -12.61 60.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 111.212 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -82.48 -30.31 29.99 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.476 ' HG2' ' HA ' ' A' ' 68' ' ' CYS . 2.7 pp20? -82.09 -35.66 28.4 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.63 -27.63 40.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.622 0.249 . . . . 0.0 110.918 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.495 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 34.4 mmm -69.38 -54.42 14.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.876 0.369 . . . . 0.0 110.119 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -64.03 -24.5 67.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.39 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.659 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 85.8 t80 -62.1 -74.9 0.08 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.158 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 81' ' ' THR . 4.0 m -44.78 -30.5 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.649 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.404 ' CB ' ' CB ' ' B' ' 78' ' ' ALA . . . -85.02 -34.3 22.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.102 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.659 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -82.78 -40.98 19.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 111.331 -179.355 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.597 ' N ' ' HG3' ' A' ' 79' ' ' MET . 60.1 t -70.32 -36.72 68.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 5.7 t -73.24 -47.49 42.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.434 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 6.3 p -53.18 -30.06 35.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.576 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.454 ' CB ' ' HA ' ' C' ' 5' ' ' ILE . . . -75.89 -69.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.0 -55.1 3.98 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.692 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.452 ' HA ' ' CA ' ' A' ' 89' ' ' GLU . 3.2 t-160 -44.65 -27.45 0.49 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.159 0.504 . . . . 0.0 110.751 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.434 ' HB2' ' O ' ' A' ' 82' ' ' THR . 33.5 tp10 -45.08 -65.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.817 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.68 -27.15 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -83.96 -15.5 47.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.452 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 6.4 tt0 60.46 171.64 0.09 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.69 0.281 . . . . 0.0 110.703 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -36.55 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.841 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.789 0.328 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.454 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.6 OUTLIER -62.07 -35.94 80.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.216 0.531 . . . . 0.0 110.776 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.454 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 0.2 OUTLIER -47.36 -44.52 24.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.576 -179.701 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -80.57 -39.58 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.959 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 3.1 mppt? -59.79 -49.11 78.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.93 -47.94 75.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -56.5 -49.77 73.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.075 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -78.83 -21.97 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.536 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.28 -39.07 93.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.527 0.68 . . . . 0.0 109.357 179.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.431 ' HB3' ' HE1' ' B' ' 73' ' ' PHE . 5.4 mt -69.01 -48.58 62.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.708 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.456 HG12 ' CE2' ' B' ' 70' ' ' PHE . 18.1 mt -63.86 -40.06 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.82 -38.11 66.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 24.3 t -63.71 -55.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.787 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.585 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -72.53 -28.75 63.04 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.35 -179.486 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.498 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 6.4 t-80 -70.58 -20.84 62.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.222 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.45 -41.45 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.608 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.522 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 1.8 m-85 -83.15 -57.1 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.328 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.8 p -49.59 -44.0 46.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.324 -179.653 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.09 -28.96 4.43 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.069 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -59.33 -54.77 43.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.996 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -57.59 171.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.73 -21.45 71.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.625 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.98 -41.86 15.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.73 0.3 . . . . 0.0 111.064 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt 58.53 67.88 0.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.667 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.4 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 2.3 t-160 -179.92 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.009 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.7 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.29 159.59 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 -179.606 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.631 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 1.3 mm? -134.89 133.93 40.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.001 0.429 . . . . 0.0 110.783 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.38 174.26 9.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.434 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -51.9 -27.8 14.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -83.02 -36.74 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.68 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 36.5 mm-40 -72.56 -64.17 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.706 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -48.18 -46.92 35.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.185 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.441 ' HD2' ' CG1' ' B' ' 53' ' ' VAL . 0.0 OUTLIER -55.73 -38.75 70.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.989 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.466 ' CB ' ' CE2' ' B' ' 17' ' ' TYR . 3.1 mm-40 -62.64 -58.99 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.358 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.522 ' CD1' ' CD1' ' B' ' 17' ' ' TYR . 1.2 mm? -46.28 -35.53 5.38 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 120.955 0.407 . . . . 0.0 111.463 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.495 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 1.0 OUTLIER -56.7 -63.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.942 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.16 -11.02 60.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.525 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.444 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 22.4 t30 -92.01 -18.92 22.96 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.263 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 35' ' ' LEU . 0.4 OUTLIER -147.75 50.04 1.06 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.358 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.495 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 72.4 mt -154.24 87.4 1.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 110.925 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m 55.61 25.39 8.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 55.22 30.31 14.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -170.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.012 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.19 90.56 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.14 -60.73 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -84.98 2.5 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.411 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.467 HG23 ' CG2' ' B' ' 53' ' ' VAL . 12.1 pt -123.56 88.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.542 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.459 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -60.89 -14.31 21.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.52 -179.66 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.404 ' O ' HG23 ' B' ' 52' ' ' VAL . 4.1 tt0 -166.91 173.0 9.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.814 0.34 . . . . 0.0 110.789 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.404 ' HA ' HG21 ' B' ' 53' ' ' VAL . 4.9 tt0 -73.61 -36.19 65.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.91 90.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.383 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.512 HG22 ' N ' ' B' ' 53' ' ' VAL . 34.3 m -63.25 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.384 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.512 ' N ' HG22 ' B' ' 52' ' ' VAL . 2.6 t -54.13 -56.67 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-O 120.655 0.264 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.03 -40.14 43.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 110.065 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.402 ' HB3' ' CG1' ' D' ' 10' ' ' ILE . 1.6 ttmm -73.74 -30.56 62.88 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.797 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.423 HG22 ' HA ' ' B' ' 53' ' ' VAL . 93.6 t -65.02 -59.12 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.998 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -61.09 -28.24 68.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.0 0.428 . . . . 0.0 109.942 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.96 -31.75 51.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.333 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.57 HG21 ' HB2' ' D' ' 8' ' ' ASN . 36.2 m -76.62 -16.55 59.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.732 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.477 ' CD1' ' CD1' ' B' ' 76' ' ' PHE . 12.2 mt -101.1 -9.7 21.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.304 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -38.73 99.21 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.981 0.419 . . . . 0.0 111.706 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' B' ' 63' ' ' ASP . 10.5 t-20 -72.82 -8.7 56.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.338 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' B' ' 62' ' ' ASN . 0.8 OUTLIER 80.07 30.17 0.25 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.986 0.422 . . . . 0.0 110.541 -179.56 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.36 -36.61 8.69 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.335 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -173.18 37.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.51 18.14 43.09 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.631 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.7 OUTLIER -139.68 -174.52 3.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.605 ' O ' ' N ' ' B' ' 27' ' ' LEU . 34.8 m -109.52 118.49 36.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.7 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -101.1 -167.75 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.59 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.631 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -73.13 -12.54 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 111.236 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -82.52 -30.39 29.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.929 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.486 ' HG2' ' HA ' ' B' ' 68' ' ' CYS . 2.7 pp20? -82.09 -35.59 28.45 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.631 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -79.61 -27.58 41.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.638 0.256 . . . . 0.0 110.994 -179.339 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.492 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 34.4 mmm -69.37 -54.47 14.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.877 0.37 . . . . 0.0 110.078 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -64.11 -24.41 67.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.382 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.659 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 85.8 t80 -62.23 -74.86 0.08 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.109 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.439 ' O ' ' CG2' ' B' ' 81' ' ' THR . 4.0 m -44.79 -30.51 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.404 ' CB ' ' CB ' ' A' ' 78' ' ' ALA . . . -84.94 -34.4 22.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.077 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.659 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 0.7 OUTLIER -82.71 -41.02 19.81 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.023 0.44 . . . . 0.0 111.289 -179.254 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.576 ' N ' ' HG3' ' B' ' 79' ' ' MET . 60.0 t -70.35 -36.73 68.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 77' ' ' VAL . 5.7 t -73.21 -47.41 43.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.799 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.438 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 6.3 p -53.29 -29.94 36.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.573 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.449 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -75.97 -69.64 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.04 -54.96 4.04 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.453 ' HA ' ' CA ' ' B' ' 89' ' ' GLU . 3.2 t-160 -44.7 -27.49 0.5 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.081 0.467 . . . . 0.0 110.683 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' B' ' 82' ' ' THR . 33.5 tp10 -45.08 -65.35 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.774 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.66 -27.15 6.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -83.92 -15.58 47.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.037 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.453 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 6.4 tt0 60.47 171.64 0.09 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 120.714 0.292 . . . . 0.0 110.704 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -36.57 22.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.926 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -94.03 -71.78 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.721 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' THR . . . . . 0.406 ' O ' ' CD1' ' C' ' 5' ' ' ILE . 11.0 t -99.6 -9.51 23.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.52 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.559 ' O ' HG12 ' C' ' 5' ' ' ILE . 0.8 OUTLIER -81.34 -2.03 47.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.73 0.3 . . . . 0.0 111.029 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.578 HG13 ' HG ' ' C' ' 11' ' ' LEU . 0.0 OUTLIER 49.8 6.77 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 123.347 0.659 . . . . 0.0 112.591 -179.085 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.499 ' H ' ' C ' ' C' ' 4' ' ' LYS . 23.6 t0 48.22 43.31 18.71 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.563 ' CD1' ' HB ' ' C' ' 5' ' ' ILE . 11.6 m95 -83.21 -69.79 0.61 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.178 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.571 ' HB2' HG21 ' A' ' 59' ' ' THR . 1.0 OUTLIER 154.79 -89.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.123 178.777 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -97.27 -49.37 4.97 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 -179.036 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.606 HG23 ' H ' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.26 -48.53 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -177.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.606 ' H ' HG23 ' C' ' 10' ' ' ILE . 3.1 mm? -92.41 -32.97 14.73 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.491 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 11.4 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.194 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.757 0.313 . . . . 0.0 111.302 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -94.04 -71.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.711 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 11.0 t -99.62 -9.57 23.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.585 179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.558 ' O ' HG12 ' D' ' 5' ' ' ILE . 0.8 OUTLIER -81.43 -2.0 47.85 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.009 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.595 HG13 ' HG ' ' D' ' 11' ' ' LEU . 0.0 OUTLIER 49.85 6.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 123.209 0.604 . . . . 0.0 112.618 -179.143 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.497 ' H ' ' C ' ' D' ' 4' ' ' LYS . 23.5 t0 48.15 43.28 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.562 ' CD1' ' HB ' ' D' ' 5' ' ' ILE . 11.6 m95 -83.16 -69.78 0.61 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.239 177.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.57 ' HB2' HG21 ' B' ' 59' ' ' THR . 1.0 OUTLIER 154.8 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.06 178.725 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 tmtm? -97.33 -49.25 5.0 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.631 HG23 ' H ' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.24 -48.6 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.033 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.631 ' H ' HG23 ' D' ' 10' ' ' ILE . 3.1 mm? -92.42 -32.92 14.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 11.2 p . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.285 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.922 0.392 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.71 -24.23 63.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -43.69 94.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.45 -33.59 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.73 -55.89 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.26 -41.38 88.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.118 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.1 mtm -58.49 -53.18 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.823 ' HA ' HG13 ' A' ' 11' ' ' ILE . 24.6 t -72.35 -26.3 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.224 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.53 -37.89 89.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.209 0.528 . . . . 0.0 109.835 179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 4.8 mt -66.63 -41.82 87.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.67 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.823 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -70.94 -40.22 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.407 179.47 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.59 -37.81 13.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.123 0.487 . . . . 0.0 110.026 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.444 ' CG1' HD23 ' A' ' 35' ' ' LEU . 2.6 t -75.32 -44.97 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.113 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -67.15 -26.98 66.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.878 0.371 . . . . 0.0 110.584 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -81.74 -22.33 37.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -78.43 -40.96 34.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.021 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.429 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 3.0 m-85 -82.92 -59.61 2.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.881 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 17.8 t -70.5 119.46 14.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.09 -55.91 0.43 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.586 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -57.43 -28.4 63.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -60.64 -48.5 81.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.23 -66.36 0.46 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.659 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.52 -37.49 75.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt 62.77 161.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.446 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 2.9 t-160 63.57 52.12 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.513 ' O ' HD11 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -176.39 157.29 1.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.335 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.532 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 2.7 mm? -134.58 136.66 43.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.617 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.444 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -117.02 -175.57 2.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.503 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -58.1 -29.99 65.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -54.3 7.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.32 -60.5 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.366 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -44.35 -67.45 0.28 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.88 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.408 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 72.7 mttt -51.61 -57.48 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 111.512 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.09 -35.17 59.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.751 0.31 . . . . 0.0 110.486 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.444 HD23 ' CG1' ' A' ' 13' ' ' VAL . 1.8 tt -62.18 -40.22 95.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.126 0.488 . . . . 0.0 110.26 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.48 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 3.1 mt -52.41 -67.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.006 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -58.09 -18.68 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.444 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -81.06 -41.58 22.37 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.89 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -139.57 51.05 1.75 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 85.2 mt -156.15 102.54 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.08 -69.26 0.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.944 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.22 -67.07 0.31 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.766 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.55 116.05 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.201 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt 61.24 55.33 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.004 0.43 . . . . 0.0 110.297 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -45.79 -54.15 8.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.504 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.612 ' O ' ' O ' ' A' ' 47' ' ' ILE . 5.1 mt-10 -149.65 51.43 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.174 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.612 ' O ' ' O ' ' A' ' 46' ' ' GLU . 0.3 OUTLIER 43.11 120.82 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.211 0.529 . . . . 0.0 112.196 179.421 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HB2' ' CG1' ' A' ' 52' ' ' VAL . 0.0 OUTLIER -49.08 -29.34 5.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.668 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.569 ' O ' HG22 ' A' ' 52' ' ' VAL . 2.4 tp10 179.77 174.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.542 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.51 -24.74 63.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.917 0.389 . . . . 0.0 110.693 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.75 -40.61 40.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.33 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.569 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.7 m -63.0 -43.8 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.074 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.454 ' CG2' ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -58.93 -52.48 60.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.029 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -47.66 -37.19 12.31 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.106 0.479 . . . . 0.0 109.965 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.8 OUTLIER -79.61 -37.49 36.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.089 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.5 t -54.2 -54.94 17.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.651 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -36.49 70.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -36.55 81.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.103 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 55' ' ' LYS . 0.2 OUTLIER -63.05 -23.99 67.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.278 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.467 ' CD1' ' CD1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -89.31 -29.83 18.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.776 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.51 100.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.348 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.45 -39.44 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.37 42.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.427 ' CA ' ' HE2' ' A' ' 26' ' ' LYS . . . -101.35 5.44 55.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.663 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t0 71.87 24.12 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.51 -33.8 4.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.779 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.488 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -105.59 -177.12 3.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.919 0.39 . . . . 0.0 110.55 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.555 ' HA ' ' HG3' ' A' ' 72' ' ' GLU . 14.2 m -114.78 112.84 23.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.604 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.48 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -100.63 -173.57 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.363 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.481 ' CE2' ' CD2' ' B' ' 85' ' ' HIS . 55.0 t80 -52.81 -32.09 42.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.126 0.489 . . . . 0.0 111.446 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.7 -38.93 76.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.555 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 2.8 mm-40 -75.58 -27.0 58.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.534 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.444 ' CE2' ' O ' ' A' ' 10' ' ' LEU . 0.0 OUTLIER -51.26 -53.72 32.85 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.18 0.514 . . . . 0.0 109.794 179.042 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.437 ' HE1' ' CE2' ' A' ' 70' ' ' PHE . 18.5 mmt -61.67 -52.86 62.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.057 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.84 -38.97 52.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.118 0.485 . . . . 0.0 110.701 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.467 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 52.8 t80 -66.57 -72.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.736 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.1 m -52.44 -26.25 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' B' ' 74' ' ' MET . . . -81.39 -51.65 8.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.912 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.4 mtm -65.35 -46.32 80.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.156 0.503 . . . . 0.0 110.18 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.493 ' HA ' ' CD1' ' C' ' 7' ' ' TRP . 59.9 t -60.81 -35.07 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.561 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.512 HG21 ' HB3' ' A' ' 85' ' ' HIS . 1.6 m -71.57 -57.7 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.086 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.0 p -48.05 -25.98 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -81.75 -72.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.555 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.8 p -88.85 -51.92 5.38 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.514 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 3.6 t60 -53.31 -18.0 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.824 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.73 -64.37 0.71 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.36 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -28.46 4.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.4 ' CZ ' ' OG1' ' C' ' 3' ' ' THR . 51.2 m-85 -77.03 -20.13 56.31 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.488 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.454 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 20.1 tt0 67.65 -66.77 0.2 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.688 0.28 . . . . 0.0 111.025 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -142.33 -51.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.006 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.826 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.846 0.355 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.0 -24.18 64.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.88 -43.79 94.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -73.37 -33.61 65.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -55.76 11.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -59.35 -41.46 89.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtm -58.38 -53.17 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.792 ' HA ' HG13 ' B' ' 11' ' ' ILE . 24.8 t -72.45 -26.24 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.96 89.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.205 0.526 . . . . 0.0 109.847 179.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.444 ' O ' ' CE2' ' B' ' 73' ' ' PHE . 4.8 mt -66.69 -41.66 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.69 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.792 HG13 ' HA ' ' B' ' 8' ' ' VAL . 0.0 OUTLIER -70.93 -40.25 76.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.442 179.386 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.68 -37.77 13.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.12 0.486 . . . . 0.0 109.949 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.452 ' CG1' HD23 ' B' ' 35' ' ' LEU . 2.6 t -75.33 -45.0 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.037 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -67.11 -27.0 66.97 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.886 0.374 . . . . 0.0 110.626 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -81.76 -22.25 37.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.053 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -78.43 -40.87 34.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.005 0.431 . . . . 0.0 110.056 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.43 ' CZ ' ' HA ' ' B' ' 35' ' ' LEU . 3.0 m-85 -82.9 -59.65 2.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.937 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 18.0 t -70.5 119.46 14.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.12 -55.97 0.43 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.605 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -57.39 -28.36 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -60.63 -48.51 81.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.29 -66.46 0.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.551 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -37.51 75.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 111.058 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt 62.87 161.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.448 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 2.9 t-160 63.52 52.13 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.468 . . . . 0.0 110.973 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.518 ' O ' HD11 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -176.32 157.26 1.7 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.343 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' B' ' 68' ' ' CYS . 2.7 mm? -134.55 136.6 43.14 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.623 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.452 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.7 OUTLIER -116.95 -175.47 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.503 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.4 mttp -58.15 -29.92 65.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.879 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -54.37 7.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.29 -60.47 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.385 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -44.35 -67.49 0.28 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.865 -179.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.405 ' HG2' ' CG1' ' B' ' 53' ' ' VAL . 72.7 mttt -51.63 -57.39 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.508 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.18 -35.1 59.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 110.525 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.452 HD23 ' CG1' ' B' ' 13' ' ' VAL . 1.7 tt -62.21 -40.22 95.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.142 0.496 . . . . 0.0 110.287 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.486 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 3.1 mt -52.38 -67.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.974 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -57.99 -18.76 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.461 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -81.02 -41.62 22.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.89 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -139.53 50.98 1.76 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 83.6 mt -156.09 102.64 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.14 -69.29 0.79 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.09 -67.26 0.29 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.741 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.39 116.03 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.228 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt 61.23 55.3 3.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.1 0.476 . . . . 0.0 110.279 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -45.76 -54.21 8.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.49 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.597 ' O ' ' O ' ' B' ' 47' ' ' ILE . 5.1 mt-10 -149.69 51.43 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.26 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.597 ' O ' ' O ' ' B' ' 46' ' ' GLU . 0.3 OUTLIER 43.27 120.81 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 121.224 0.535 . . . . 0.0 112.125 179.313 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.408 ' HB2' ' CG1' ' B' ' 52' ' ' VAL . 0.0 OUTLIER -49.14 -29.29 5.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.672 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.564 ' O ' HG22 ' B' ' 52' ' ' VAL . 2.4 tp10 179.71 174.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.549 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.44 -24.78 63.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.915 0.388 . . . . 0.0 110.634 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.74 -40.65 40.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.304 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.564 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.7 m -63.04 -43.82 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.975 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.46 ' CG2' ' CG2' ' B' ' 47' ' ' ILE . 0.6 OUTLIER -58.89 -52.43 60.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.065 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -47.74 -37.11 12.62 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.101 0.477 . . . . 0.0 109.959 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.8 OUTLIER -79.63 -37.48 35.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.003 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.453 HG21 HG13 ' D' ' 10' ' ' ILE . 53.6 t -54.22 -54.92 17.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.679 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -36.56 70.8 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.45 81.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.157 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.458 ' N ' ' O ' ' B' ' 55' ' ' LYS . 0.2 OUTLIER -63.2 -23.93 67.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.251 179.375 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.457 ' CD1' ' CD1' ' B' ' 76' ' ' PHE . 0.4 OUTLIER -89.34 -29.87 18.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.773 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.55 100.95 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.295 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.45 -39.45 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.528 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.34 42.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.488 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.429 ' CA ' ' HE2' ' B' ' 26' ' ' LYS . . . -101.29 5.46 55.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.684 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t0 71.91 24.09 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.53 -33.79 4.18 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.848 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.488 ' HB3' ' CG ' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -105.54 -177.11 3.27 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.85 0.357 . . . . 0.0 110.623 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.538 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 14.0 m -114.8 112.83 23.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.475 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -100.65 -173.6 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.514 ' CE2' ' CD2' ' A' ' 85' ' ' HIS . 56.6 t80 -52.82 -31.92 41.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.971 0.415 . . . . 0.0 111.496 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.82 -38.98 76.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.538 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 2.8 mm-40 -75.45 -27.12 58.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.538 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.444 ' CE2' ' O ' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -51.33 -53.78 32.74 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.094 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.445 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 18.6 mmt -61.59 -52.9 62.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.022 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.88 -38.93 52.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.042 0.448 . . . . 0.0 110.681 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.457 ' CD1' ' CD1' ' B' ' 60' ' ' LEU . 52.7 t80 -66.52 -72.82 0.15 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.761 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.1 m -52.45 -26.22 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.259 179.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.433 ' HA ' ' HB3' ' A' ' 74' ' ' MET . . . -81.34 -51.74 8.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.929 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 47.6 mtm -65.27 -46.37 80.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.148 0.499 . . . . 0.0 110.227 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.509 ' HA ' ' CD1' ' D' ' 7' ' ' TRP . 58.7 t -60.77 -34.97 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.544 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.511 HG21 ' HB3' ' B' ' 85' ' ' HIS . 1.5 m -71.49 -58.02 3.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.4 p -47.92 -25.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.431 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -81.91 -72.21 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.524 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.8 p -88.86 -52.03 5.32 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.511 ' HB3' HG21 ' B' ' 81' ' ' THR . 3.7 t60 -53.25 -17.98 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.852 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.58 -64.36 0.71 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.404 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.87 -28.38 4.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.137 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.41 ' CZ ' ' OG1' ' D' ' 3' ' ' THR . 50.7 m-85 -76.96 -20.19 56.42 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.376 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.452 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 19.9 tt0 67.62 -66.8 0.2 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 111.105 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' B' ' 88' ' ' PHE . 49.1 m80 -142.41 -50.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.801 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.623 0.249 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -49.55 -71.83 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.924 0.392 . . . . 0.0 110.531 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' THR . . . . . 0.4 ' OG1' ' CZ ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -99.18 1.3 44.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.292 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.539 ' C ' ' CD1' ' C' ' 5' ' ' ILE . 0.0 OUTLIER -78.92 -2.33 39.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.045 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.666 ' CG1' ' HG ' ' C' ' 11' ' ' LEU . 0.2 OUTLIER 35.15 35.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-O 121.137 0.494 . . . . 0.0 111.333 -179.65 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -54.4 83.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.694 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.493 ' CD1' ' HA ' ' A' ' 80' ' ' VAL . 46.1 m0 -73.73 -62.16 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.259 0.552 . . . . 0.0 109.727 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.481 ' O ' ' HA ' ' C' ' 12' ' ' SER . 25.2 t-20 -178.64 -84.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.395 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -97.6 -50.68 4.4 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.705 HG23 ' CD2' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.78 -59.84 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.054 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.705 ' CD2' HG23 ' C' ' 10' ' ' ILE . 1.2 mm? -88.12 -11.85 45.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.07 -0.394 . . . . 0.0 110.5 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.481 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 39.8 t . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.193 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.576 0.227 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -49.69 -71.73 0.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.863 0.363 . . . . 0.0 110.538 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' THR . . . . . 0.41 ' OG1' ' CZ ' ' B' ' 88' ' ' PHE . 0.2 OUTLIER -99.22 1.41 44.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.269 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.538 ' C ' ' CD1' ' D' ' 5' ' ' ILE . 0.0 OUTLIER -79.04 -2.36 40.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.951 179.734 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.671 ' CG1' ' HG ' ' D' ' 11' ' ' LEU . 0.2 OUTLIER 35.15 35.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.182 0.515 . . . . 0.0 111.369 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -54.46 83.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.718 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.509 ' CD1' ' HA ' ' B' ' 80' ' ' VAL . 46.0 m0 -73.69 -62.23 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.263 0.554 . . . . 0.0 109.757 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.475 ' O ' ' HA ' ' D' ' 12' ' ' SER . 25.3 t-20 -178.47 -84.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.416 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 2.1 tmtm? -97.58 -50.71 4.39 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.702 HG23 ' CD2' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.79 -59.81 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.005 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.702 ' CD2' HG23 ' D' ' 10' ' ' ILE . 1.2 mm? -88.06 -11.86 45.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.072 -0.393 . . . . 0.0 110.576 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.475 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 40.1 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.037 -0.982 . . . . 0.0 111.277 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.756 0.313 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -55.4 -37.35 67.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.114 0.483 . . . . 0.0 111.061 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.48 -41.49 14.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.318 -179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -84.13 -28.74 27.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.027 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.7 mtpt -71.52 -43.94 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' B' ' 6' ' ' ALA . . . -65.09 -48.46 73.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 7.7 mtm -59.32 -46.63 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.565 ' HA ' ' CG2' ' A' ' 11' ' ' ILE . 24.8 t -78.12 -25.12 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.675 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.0 -38.37 90.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.482 0.658 . . . . 0.0 109.369 178.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.64 -66.5 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.027 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.565 ' CG2' ' HA ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -42.43 -38.57 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.048 179.642 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.6 -49.28 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.548 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.404 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 36.8 t -57.26 -41.27 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.517 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.682 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -77.79 -29.54 50.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.448 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.3 t60 -83.6 -15.87 47.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.105 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -48.74 14.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.512 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 3.4 m-85 -83.86 -55.02 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.677 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.26 117.36 3.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.71 -51.36 0.79 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -31.41 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -148.41 99.69 3.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.78 -162.66 25.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.548 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -77.7 -7.72 56.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.562 0.22 . . . . 0.0 111.359 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt 70.53 59.82 0.22 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.903 0.382 . . . . 0.0 110.776 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 11.8 t-160 -178.18 -28.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.693 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.32 160.56 16.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.83 0.348 . . . . 0.0 110.113 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' ' 68' ' ' CYS . 3.1 mm? -122.44 138.05 54.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.149 0.5 . . . . 0.0 110.103 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -113.63 -177.6 3.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.436 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.409 ' HB3' ' CE ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -51.05 -41.27 59.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.908 179.763 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.2 p -63.97 -55.59 21.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.461 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.432 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 5.1 mt-10 -68.55 -68.0 0.43 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.734 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -41.35 -69.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.921 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HE2' ' HB ' ' A' ' 53' ' ' VAL . 95.0 mttt -42.89 -43.68 4.19 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 111.458 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -53.05 -54.67 32.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.713 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 1.5 mm? -51.68 -35.36 42.24 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.936 0.398 . . . . 0.0 111.714 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.681 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -58.92 -47.73 88.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.013 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -88.1 -8.6 55.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.489 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' GLU . 35.4 t30 -92.62 -25.07 18.46 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -151.04 53.21 0.86 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.681 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 96.3 mt -158.54 116.77 2.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.932 0.396 . . . . 0.0 110.854 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.0 p -145.68 92.47 2.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.008 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -174.31 -49.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.37 84.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.412 ' CD1' ' CB ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -177.68 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.655 -179.681 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.48 58.63 4.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.577 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.493 ' O ' ' CG2' ' A' ' 47' ' ' ILE . 23.2 tt0 63.88 46.04 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.226 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.661 HG22 ' CG2' ' A' ' 53' ' ' VAL . 0.7 OUTLIER 52.56 153.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.621 -179.601 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.493 ' N ' HG13 ' A' ' 47' ' ' ILE . 1.6 mtmm -47.72 -27.84 2.17 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.46 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.5 OUTLIER 168.76 178.51 0.03 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.519 0.676 . . . . 0.0 111.865 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.407 ' HG2' ' HD3' ' A' ' 33' ' ' LYS . 4.0 mt-30 -74.14 -22.4 59.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.142 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -81.21 -38.27 27.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.546 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.515 HG22 HG12 ' A' ' 47' ' ' ILE . 20.6 m -63.01 -42.22 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.461 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.661 ' CG2' HG22 ' A' ' 47' ' ' ILE . 95.7 t -64.3 -47.05 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.342 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -54.31 -38.2 65.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 59' ' ' THR . 16.9 ttmt -78.98 -32.13 45.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.294 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.492 HG21 ' HA ' ' A' ' 53' ' ' VAL . 43.1 t -56.64 -53.26 43.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.166 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -30.95 71.98 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.41 -32.69 72.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.478 178.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.529 ' CG2' ' HB3' ' C' ' 8' ' ' ASN . 1.2 m -61.19 -26.0 67.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.487 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -113.38 -9.73 13.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.741 -179.324 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -42.51 93.31 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.8 0.333 . . . . 0.0 111.603 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.5 m-20 -99.3 -46.96 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -160.08 28.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.34 8.79 58.97 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.628 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 61.54 25.92 15.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.52 -6.34 45.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.019 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.06 175.38 5.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.643 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.461 ' O ' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -115.37 85.11 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.448 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.693 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 2.0 p-10 -81.2 -165.43 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.495 ' HA ' ' HB2' ' A' ' 73' ' ' PHE . 8.2 t80 -70.57 -15.18 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.774 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 7.8 pt20 -76.07 -37.74 57.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.183 179.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -25.67 35.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.472 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.682 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -54.97 -62.28 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.409 178.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.407 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 22.6 mmm -61.29 -50.84 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.387 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.61 -20.03 43.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.975 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.465 ' CD1' HD13 ' A' ' 60' ' ' LEU . 14.4 t80 -85.32 -75.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.567 ' O ' ' HB ' ' A' ' 81' ' ' THR . 21.7 t -52.22 -23.5 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.485 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' A' ' 74' ' ' MET . . . -85.26 -47.93 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.5 mtm -68.47 -50.54 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.435 0.636 . . . . 0.0 110.155 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.485 HG13 ' CE2' ' C' ' 7' ' ' TRP . 59.4 t -58.92 -40.62 80.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.013 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.567 ' HB ' ' O ' ' A' ' 77' ' ' VAL . 4.1 m -71.23 -57.18 4.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.477 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 58.9 m -48.36 -23.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.424 ' HB1' ' CB ' ' C' ' 6' ' ' ASP . . . -82.24 -71.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.802 0.334 . . . . 0.0 111.871 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.0 p -87.44 -51.74 5.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 0.0 112.132 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.432 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 2.3 t60 -48.3 -24.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.587 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.26 -64.36 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.359 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.51 -28.06 5.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -79.99 -17.57 52.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.702 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.416 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 35.7 mm-40 54.65 23.73 4.96 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 120.696 0.284 . . . . 0.0 111.192 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 77.18 -55.86 0.54 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.848 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 43.7 p . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.679 0.276 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -55.45 -37.3 67.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.174 0.511 . . . . 0.0 111.057 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -46.51 -41.51 14.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.377 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -84.16 -28.64 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.032 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 8.8 mtpt -71.63 -43.86 65.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.025 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.412 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . . . -65.1 -48.45 73.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.206 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 7.6 mtm -59.3 -46.63 88.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.565 ' HA ' ' CG2' ' B' ' 11' ' ' ILE . 25.3 t -78.18 -25.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.636 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.11 -38.19 90.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.484 0.659 . . . . 0.0 109.401 178.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.76 -66.49 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.024 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.565 ' CG2' ' HA ' ' B' ' 8' ' ' VAL . 0.0 OUTLIER -42.46 -38.54 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.067 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -53.62 -49.4 67.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.317 179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.412 ' CG1' ' HG ' ' B' ' 35' ' ' LEU . 37.2 t -57.09 -41.42 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.442 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.689 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -77.72 -29.52 51.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.335 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.442 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.3 t60 -83.52 -15.96 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.151 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -48.74 14.04 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.517 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 3.4 m-85 -83.82 -54.99 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.69 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.33 117.34 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.957 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.78 -51.34 0.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -31.35 69.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -148.41 99.64 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.72 -162.67 25.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.583 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -77.69 -7.62 56.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.469 0.176 . . . . 0.0 111.381 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt 70.46 59.77 0.23 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.941 0.401 . . . . 0.0 110.803 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 11.9 t-160 -178.16 -28.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.276 179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.67 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.35 160.57 16.92 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.451 HD22 ' O ' ' B' ' 68' ' ' CYS . 3.1 mm? -122.49 138.0 54.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.042 0.448 . . . . 0.0 110.122 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 pttt -113.61 -177.57 3.17 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.426 -179.197 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.415 ' HB3' ' CE ' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -50.99 -41.41 59.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.821 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.1 p -63.99 -55.54 21.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.421 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.444 ' O ' ' CD2' ' B' ' 35' ' ' LEU . 5.1 mt-10 -68.54 -68.06 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.641 0.258 . . . . 0.0 111.665 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -41.32 -69.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.901 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.523 ' HE2' ' HB ' ' B' ' 53' ' ' VAL . 95.0 mttt -43.02 -43.65 4.36 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 111.434 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -53.01 -54.65 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.739 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.517 ' CD1' ' CD1' ' B' ' 17' ' ' TYR . 1.5 mm? -51.69 -35.38 42.54 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.666 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.688 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 0.4 OUTLIER -58.97 -47.65 89.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.992 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -88.05 -8.74 55.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.411 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 34' ' ' GLU . 35.2 t30 -92.52 -25.23 18.48 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.206 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -150.95 53.24 0.86 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -179.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.688 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 96.7 mt -158.56 116.75 2.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.938 0.399 . . . . 0.0 110.803 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 61.3 p -145.63 92.61 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.976 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -174.43 -49.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.39 84.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.412 ' CD2' ' HB3' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -177.71 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.569 -179.687 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.56 58.59 4.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.492 ' O ' ' CG2' ' B' ' 47' ' ' ILE . 23.3 tt0 63.9 46.09 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.183 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.659 HG22 ' CG2' ' B' ' 53' ' ' VAL . 0.7 OUTLIER 52.58 153.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.67 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.497 ' N ' HG13 ' B' ' 47' ' ' ILE . 1.6 mtmm -47.92 -27.75 2.32 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.46 ' O ' HG23 ' B' ' 52' ' ' VAL . 0.4 OUTLIER 168.79 178.47 0.03 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.555 0.693 . . . . 0.0 111.764 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.415 ' HG2' ' HD3' ' B' ' 33' ' ' LYS . 4.0 mt-30 -74.04 -22.36 59.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.222 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -81.18 -38.27 27.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.563 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.52 HG22 HG12 ' B' ' 47' ' ' ILE . 20.9 m -63.05 -42.23 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.313 . . . . 0.0 110.456 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.659 ' CG2' HG22 ' B' ' 47' ' ' ILE . 93.9 t -64.28 -47.03 91.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.354 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -54.36 -38.15 65.76 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' B' ' 59' ' ' THR . 16.9 ttmt -79.04 -32.05 44.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.259 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' B' ' 53' ' ' VAL . 42.9 t -56.73 -53.23 44.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.142 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -30.95 71.98 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.48 -32.73 72.93 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.47 178.319 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.537 ' CG2' ' HB3' ' D' ' 8' ' ' ASN . 1.2 m -61.19 -25.99 67.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.419 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.465 HD13 ' CD1' ' B' ' 76' ' ' PHE . 0.3 OUTLIER -113.32 -9.75 13.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.713 -179.336 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -42.57 93.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.857 0.36 . . . . 0.0 111.675 -179.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 60' ' ' LEU . 2.5 m-20 -99.28 -46.9 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.68 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -160.18 28.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.43 8.82 58.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.496 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 61.59 25.88 15.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.5 -6.39 45.33 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.047 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -98.97 175.36 5.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.614 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.451 ' O ' HD22 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -115.4 85.03 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.431 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.67 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 2.1 p-10 -81.08 -165.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.494 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 8.2 t80 -70.52 -15.29 62.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.997 0.427 . . . . 0.0 110.843 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -76.07 -37.73 57.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.183 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.62 -25.66 35.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.493 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.689 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -54.94 -62.22 1.8 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.463 178.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.401 ' HB3' ' HB3' ' A' ' 78' ' ' ALA . 21.8 mmm -61.31 -50.87 71.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.454 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.62 -20.0 43.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.039 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.465 ' CD1' HD13 ' B' ' 60' ' ' LEU . 14.4 t80 -85.34 -75.43 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.096 0.474 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.576 ' O ' ' HB ' ' B' ' 81' ' ' THR . 21.6 t -52.19 -23.43 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.511 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.38 -47.82 9.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.5 mtm -68.57 -50.42 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 0.0 110.086 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.491 HG13 ' CE2' ' D' ' 7' ' ' TRP . 59.3 t -59.04 -40.5 80.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.033 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.576 ' HB ' ' O ' ' B' ' 77' ' ' VAL . 4.1 m -71.36 -57.14 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.453 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 59.4 m -48.39 -23.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.416 ' HB1' ' CB ' ' D' ' 6' ' ' ASP . . . -82.21 -71.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.794 0.331 . . . . 0.0 111.878 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.9 p -87.39 -51.86 5.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.084 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.434 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 2.3 t60 -48.22 -24.55 1.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.25 -64.29 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.367 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.57 -27.99 5.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.505 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -80.2 -17.34 52.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.672 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.41 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 35.5 mm-40 54.58 23.73 4.87 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.627 0.251 . . . . 0.0 111.216 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 77.15 -55.88 0.54 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.095 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.91 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.746 0.308 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.17 -71.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.57 -4.2 34.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.548 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.566 ' O ' HG12 ' C' ' 5' ' ' ILE . 1.3 tmtt? -80.23 -1.83 42.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.977 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.566 HG12 ' O ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 47.35 11.96 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -179.458 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' C' ' 4' ' ' LYS . 23.7 t0 37.66 28.86 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.514 ' O ' ' CB ' ' C' ' 8' ' ' ASN . 10.3 m95 -70.97 -67.99 0.47 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.558 ' O ' ' HA ' ' C' ' 12' ' ' SER . 35.1 t30 148.28 -97.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.598 0.759 . . . . 0.0 110.991 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -44.72 6.53 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.526 ' CG2' ' N ' ' C' ' 11' ' ' LEU . 0.1 OUTLIER -54.2 -58.51 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.798 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.526 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 2.0 mp -93.82 -18.73 21.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.004 0.43 . . . . 0.0 110.323 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.558 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 13.0 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.991 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.817 0.341 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.29 -71.16 0.12 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.54 -4.2 34.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.575 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.559 ' O ' HG12 ' D' ' 5' ' ' ILE . 1.3 tmtt? -80.16 -1.96 42.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.966 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.559 HG12 ' O ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 47.34 12.02 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.438 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.427 ' H ' ' C ' ' D' ' 4' ' ' LYS . 23.8 t0 37.66 28.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.504 ' CD1' ' HB ' ' D' ' 5' ' ' ILE . 10.3 m95 -71.03 -67.91 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.559 ' O ' ' HA ' ' D' ' 12' ' ' SER . 35.0 t30 148.32 -97.53 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.638 0.775 . . . . 0.0 111.005 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.93 -44.76 6.55 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.526 ' CG2' ' N ' ' D' ' 11' ' ' LEU . 0.1 OUTLIER -54.22 -58.44 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -177.724 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.526 ' N ' ' CG2' ' D' ' 10' ' ' ILE . 2.0 mp -93.83 -18.69 21.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.351 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.559 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 12.8 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.997 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.84 -29.44 70.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -50.59 70.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.66 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.45 -46.15 91.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.669 179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -56.6 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.677 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -58.05 -46.29 85.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 6.5 mtt -56.52 -51.09 69.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.0 t -73.86 -26.3 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.445 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.36 -37.86 88.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.427 0.632 . . . . 0.0 109.602 179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.42 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 4.7 mt -73.41 -49.51 26.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.118 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.466 HG12 ' CE2' ' A' ' 70' ' ' PHE . 17.9 mt -58.69 -50.24 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.893 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.39 -51.51 14.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.576 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.9 t -50.79 -52.22 17.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.877 0.37 . . . . 0.0 111.762 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.494 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -74.27 -31.37 62.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.728 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.407 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.2 t-80 -64.83 -19.85 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.762 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -52.4 6.34 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.961 0.41 . . . . 0.0 109.985 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.466 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 7.7 m-85 -83.89 -71.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.04 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.478 ' CB ' ' CD2' ' A' ' 14' ' ' PHE . 0.5 OUTLIER -45.89 137.85 5.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.138 -179.68 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.43 ' HA3' ' CB ' ' A' ' 24' ' ' LYS . . . -38.32 136.03 1.05 Allowed Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 113.213 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.37 -46.91 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 111.163 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.57 155.69 31.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 111.037 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.52 -169.88 54.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.586 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -54.45 -24.68 21.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.832 0.348 . . . . 0.0 110.995 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.43 ' CB ' ' HA3' ' A' ' 19' ' ' GLY . 10.6 tttp -52.86 95.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.052 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -151.97 67.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.558 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.642 ' CE ' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -174.14 173.73 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.135 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.541 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 2.0 mp -136.74 136.95 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.493 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.513 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 2.7 mtmt -101.2 179.05 4.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.928 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 12.0 mttt -53.14 -28.61 26.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.4 m -80.79 -38.6 28.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.794 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -70.23 -63.87 1.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.77 -55.89 12.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.129 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.514 ' HG3' HG13 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -45.49 -42.66 10.91 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.55 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.4 mm-40 -57.98 -68.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.495 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.502 ' HA ' ' HB3' ' A' ' 38' ' ' ASN . 1.3 mm? -40.34 -32.79 0.2 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.01 0.433 . . . . 0.0 111.869 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.607 ' HA ' ' HG ' ' A' ' 40' ' ' LEU . 1.3 mt -56.57 -67.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.438 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -79.21 -8.21 58.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.407 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.502 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 4.5 t30 -76.74 -43.84 35.59 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.706 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -167.57 60.55 0.08 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -179.728 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.607 ' HG ' ' HA ' ' A' ' 36' ' ' ILE . 8.5 mt -107.66 -76.86 0.6 Allowed 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.683 178.258 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.45 109.25 1.1 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.2 t60 70.83 -63.65 0.41 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -176.98 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.0 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' CB ' HG13 ' A' ' 47' ' ' ILE . 6.8 mp -114.53 -87.19 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 66.66 -68.93 0.13 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.792 0.329 . . . . 0.0 111.285 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.7 6.98 39.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.391 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.475 HG21 ' CG2' ' A' ' 53' ' ' VAL . 9.7 pt -140.17 83.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.896 0.379 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -21.64 31.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.432 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' O ' HG23 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -160.53 -179.38 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.699 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -38.03 51.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 0.0 110.592 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.76 95.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.226 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 49' ' ' GLU . 4.2 m -63.13 -42.07 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.23 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.514 HG13 ' HG3' ' A' ' 33' ' ' LYS . 5.3 t -51.03 -59.16 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.687 0.28 . . . . 0.0 111.32 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.29 -43.78 22.74 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.917 0.389 . . . . 0.0 110.381 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -71.38 -34.45 70.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.556 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.414 HG21 ' HA ' ' A' ' 53' ' ' VAL . 82.2 t -57.31 -57.81 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.342 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.23 -33.57 69.48 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -34.27 75.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.429 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.5 HG22 ' HB2' ' C' ' 8' ' ' ASN . 2.7 m -68.61 -14.08 62.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.913 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -85.57 -14.26 46.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.443 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.24 92.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.862 0.363 . . . . 0.0 111.363 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -113.12 -31.21 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -178.7 43.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.57 5.72 18.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.641 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.44 25.51 15.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.956 0.408 . . . . 0.0 110.528 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.22 -33.54 3.98 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.513 ' HG3' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -97.05 177.84 5.46 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 110.208 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.541 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 5.4 m -134.32 115.5 14.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.286 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.642 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 16.5 p-10 -88.47 -153.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.144 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.604 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -74.05 -31.62 62.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.678 0.275 . . . . 0.0 111.252 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 0.0 OUTLIER -70.19 -29.16 65.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.779 -179.257 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.466 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 6.0 mm-40 -76.62 -50.99 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.391 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.604 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -64.36 -39.32 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.806 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.512 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 63.6 mmm -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 0.0 110.024 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.491 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -71.41 -32.19 68.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.56 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.737 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 75.8 t80 -65.79 -71.28 0.2 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.459 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.41 ' O ' ' CG2' ' A' ' 81' ' ' THR . 22.9 t -46.74 -29.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.06 0.457 . . . . 0.0 110.533 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.67 -38.77 17.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.108 -179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.737 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 1.4 ptt? -78.14 -41.94 33.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.181 0.515 . . . . 0.0 110.699 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.622 ' HA ' ' O ' ' C' ' 5' ' ' ILE . 49.1 t -64.53 -44.26 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.415 ' OG1' ' CB ' ' A' ' 85' ' ' HIS . 10.1 t -69.4 -41.0 77.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.134 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 p -55.3 -32.26 62.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.05 -179.228 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.501 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -77.14 -62.33 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 14.5 p -87.08 -49.37 7.36 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.425 ' CD2' ' HA ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -50.56 -22.69 2.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.824 0.345 . . . . 0.0 110.785 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -46.06 -63.71 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.017 179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -30.6 6.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.492 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -73.34 -26.2 60.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.434 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.425 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 10.5 pt-20 42.22 67.06 0.63 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.509 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -124.25 -76.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.877 179.948 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.854 0.359 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.68 -29.48 70.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.42 -50.52 71.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.666 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -60.41 -46.21 90.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.662 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -56.62 17.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.98 -46.32 85.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 6.5 mtt -56.54 -51.08 69.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 23.9 t -73.96 -26.11 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.475 -179.822 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.38 -38.0 89.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.393 0.616 . . . . 0.0 109.558 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.419 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 4.8 mt -73.36 -49.56 26.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.129 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.469 HG12 ' CE2' ' B' ' 70' ' ' PHE . 17.8 mt -58.65 -50.08 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.97 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.58 -51.49 15.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.52 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 21.1 t -50.89 -52.17 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.343 . . . . 0.0 111.673 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.49 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -74.29 -31.32 62.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.713 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.402 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.2 t-80 -64.86 -19.87 66.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.99 -52.42 6.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.012 0.434 . . . . 0.0 109.977 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.466 ' CD1' HD11 ' B' ' 35' ' ' LEU . 7.7 m-85 -83.9 -71.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.058 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.485 ' CB ' ' CD2' ' B' ' 14' ' ' PHE . 0.5 OUTLIER -45.79 137.88 5.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.154 -179.717 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.429 ' HA3' ' CB ' ' B' ' 24' ' ' LYS . . . -38.3 135.99 1.05 Allowed Glycine 0 CA--C 1.518 0.241 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.287 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.32 -46.93 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.693 0.282 . . . . 0.0 111.204 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.56 155.66 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.071 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.6 -169.8 54.11 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.545 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -54.48 -24.72 21.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.965 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.429 ' CB ' ' HA3' ' B' ' 19' ' ' GLY . 10.6 tttp -52.93 95.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.988 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -151.98 67.9 0.87 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.522 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.634 ' CE ' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -174.2 173.73 3.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.034 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.539 ' HB2' ' O ' ' B' ' 68' ' ' CYS . 2.0 mp -136.71 137.07 39.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 0.0 110.475 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.519 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 2.8 mtmt -101.38 179.06 4.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.861 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 12.0 mttt -53.1 -28.62 26.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.2 m -80.68 -38.78 28.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -70.21 -63.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.5 tt -49.7 -55.9 12.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.197 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.53 ' HG3' HG13 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -45.45 -42.81 10.88 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.476 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' B' ' 38' ' ' ASN . 2.4 mm-40 -57.8 -68.41 0.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.517 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.513 ' HA ' ' HB3' ' B' ' 38' ' ' ASN . 1.3 mm? -40.51 -32.69 0.21 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.955 0.407 . . . . 0.0 111.769 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.609 ' HA ' ' HG ' ' B' ' 40' ' ' LEU . 1.3 mt -56.68 -67.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.4 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -79.17 -8.25 58.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.472 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.513 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 4.5 t30 -76.81 -43.76 35.32 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.673 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -167.57 60.5 0.08 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.609 ' HG ' ' HA ' ' B' ' 36' ' ' ILE . 8.5 mt -107.69 -76.83 0.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.712 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.42 109.24 1.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.62 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.4 t60 70.88 -63.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -177.08 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.424 ' CB ' HG13 ' B' ' 47' ' ' ILE . 6.8 mp -114.58 -87.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 66.59 -68.97 0.13 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.717 0.294 . . . . 0.0 111.218 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -89.64 6.89 39.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.384 -179.849 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.464 HG21 ' CG2' ' B' ' 53' ' ' VAL . 9.7 pt -140.09 83.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -21.69 31.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.37 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.474 ' O ' HG23 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -160.56 -179.51 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.709 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -38.01 51.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.964 0.412 . . . . 0.0 110.586 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.77 95.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.278 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.474 HG23 ' O ' ' B' ' 49' ' ' GLU . 4.2 m -63.19 -42.05 95.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.218 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.53 HG13 ' HG3' ' B' ' 33' ' ' LYS . 5.2 t -50.96 -59.28 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 120.689 0.28 . . . . 0.0 111.329 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.26 -43.83 22.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.908 0.385 . . . . 0.0 110.331 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -71.36 -34.35 70.39 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.619 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.431 HG21 ' HA ' ' B' ' 53' ' ' VAL . 82.5 t -57.3 -57.85 8.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.339 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -58.22 -33.48 69.36 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -34.27 75.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.368 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.478 HG22 ' HB2' ' D' ' 8' ' ' ASN . 2.7 m -68.64 -13.94 62.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.972 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.416 ' CD2' ' HB2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -85.61 -14.34 45.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.475 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.16 92.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.835 0.35 . . . . 0.0 111.377 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -113.24 -31.02 6.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.736 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -178.83 43.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -116.54 5.66 18.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.643 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.48 25.53 15.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 110.52 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.11 -33.44 4.03 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.506 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.519 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -97.03 177.84 5.47 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.836 0.35 . . . . 0.0 110.265 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.539 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 5.5 m -134.33 115.5 14.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.25 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.634 ' HB3' ' CE ' ' B' ' 26' ' ' LYS . 16.4 p-10 -88.46 -153.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.142 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.605 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 1.0 OUTLIER -73.88 -31.77 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.292 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -29.11 65.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.801 -179.252 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 6.0 mm-40 -76.6 -51.05 12.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 111.401 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.605 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -64.33 -39.28 93.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.854 -179.742 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.518 ' HG3' ' CZ ' ' B' ' 70' ' ' PHE . 63.5 mmm -62.06 -35.3 78.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.016 0.436 . . . . 0.0 109.888 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -71.35 -32.22 68.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.598 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.737 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 75.9 t80 -65.84 -71.23 0.2 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.436 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.413 ' O ' ' CG2' ' B' ' 81' ' ' THR . 22.6 t -46.65 -29.59 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.086 0.469 . . . . 0.0 110.616 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -85.51 -38.94 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.133 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.737 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 1.4 ptt? -77.98 -42.04 34.08 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.178 0.513 . . . . 0.0 110.691 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.613 ' HA ' ' O ' ' D' ' 5' ' ' ILE . 49.1 t -64.49 -44.33 96.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' B' ' 77' ' ' VAL . 10.1 t -69.29 -41.0 77.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.177 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 p -55.32 -32.28 62.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.073 -179.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -77.1 -62.27 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.4 ' HB3' ' CG2' ' D' ' 5' ' ' ILE . 14.6 p -87.17 -49.22 7.44 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.428 ' CD2' ' HA ' ' B' ' 89' ' ' GLU . 0.6 OUTLIER -50.63 -22.64 2.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.874 0.369 . . . . 0.0 110.821 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 14.4 tt0 -45.92 -63.78 0.89 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.1 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -30.77 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.36 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -73.19 -26.23 61.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.51 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.428 ' HA ' ' CD2' ' B' ' 85' ' ' HIS . 10.5 pt-20 42.13 67.15 0.62 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.534 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -124.23 -76.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.9 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.754 0.312 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -99.13 -69.1 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -98.25 1.55 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.344 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.547 ' HG3' ' H ' ' C' ' 6' ' ' ASP . 0.0 OUTLIER -90.41 -7.96 51.81 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.38 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.622 ' O ' ' HA ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER 48.82 12.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.547 ' H ' ' HG3' ' C' ' 4' ' ' LYS . 30.0 t0 45.8 41.63 7.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.566 ' HB2' ' HB2' ' C' ' 11' ' ' LEU . 11.5 m95 -78.63 -69.08 0.59 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.5 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.9 OUTLIER 156.14 -88.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.671 178.794 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 1.3 tmtt? -97.56 -52.1 3.89 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -179.264 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.529 HG23 ' CE3' ' C' ' 7' ' ' TRP . 0.1 OUTLIER -54.09 -54.4 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.855 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.566 ' HB2' ' HB2' ' C' ' 7' ' ' TRP . 2.6 mm? -87.5 -23.97 24.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.071 0.462 . . . . 0.0 110.057 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 19.9 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.194 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.887 0.375 . . . . 0.0 111.246 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -99.03 -69.1 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -98.34 1.55 47.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.305 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.546 ' HG3' ' H ' ' D' ' 6' ' ' ASP . 0.0 OUTLIER -90.47 -7.81 52.07 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 111.416 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.613 ' O ' ' HA ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER 48.76 12.61 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.546 ' H ' ' HG3' ' D' ' 4' ' ' LYS . 29.9 t0 45.8 41.6 7.82 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.557 ' HB2' ' HB2' ' D' ' 11' ' ' LEU . 11.5 m95 -78.63 -69.07 0.59 Allowed 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.478 ' HB2' HG22 ' B' ' 59' ' ' THR . 0.9 OUTLIER 156.13 -88.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.628 178.777 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 1.2 tmtt? -97.64 -51.97 3.93 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.524 HG23 ' CE3' ' D' ' 7' ' ' TRP . 0.1 OUTLIER -54.19 -54.36 21.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.858 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.557 ' HB2' ' HB2' ' D' ' 7' ' ' TRP . 2.6 mm? -87.57 -23.91 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.042 0.449 . . . . 0.0 109.988 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 20.3 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.178 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.863 0.363 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.15 -14.06 62.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.356 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.9 mt -82.26 -25.6 33.92 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -84.01 -43.03 15.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.567 0.222 . . . . 0.0 111.344 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.96 -49.45 29.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.367 . . . . 0.0 111.031 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' B' ' 6' ' ' ALA . . . -57.83 -50.83 71.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.299 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.539 ' O ' HG12 ' A' ' 11' ' ' ILE . 23.2 ttm -48.33 -63.1 1.17 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.468 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 19.4 t -69.27 -22.69 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.025 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.29 -41.68 93.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.325 0.583 . . . . 0.0 109.933 179.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 1.1 pp -71.06 -37.29 72.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.723 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' MET . 2.6 mm -64.72 -43.6 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.44 -40.61 18.47 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.529 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 39.4 t -58.05 -47.49 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.464 178.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.507 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -71.01 -26.92 63.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.617 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -81.4 -20.4 40.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.394 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -81.72 -38.28 26.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.97 0.414 . . . . 0.0 110.497 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.428 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 1.8 m-85 -83.02 -55.13 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -62.68 -48.82 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.88 -29.3 50.45 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.755 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -30.79 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -73.72 -74.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.56 -49.86 0.11 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -61.59 -39.1 89.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.97 32.3 21.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.965 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.44 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 9.8 t-160 -167.32 47.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.045 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.5 ' HE3' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -175.88 147.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 2.1 mm? -135.04 139.16 44.57 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.437 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -115.99 -178.19 3.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.111 0.482 . . . . 0.0 111.807 -179.204 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -59.44 -19.05 44.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.858 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 m -83.46 -54.53 4.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -78.33 -55.08 5.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.357 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -46.75 -61.04 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.591 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.476 ' HG3' HG13 ' A' ' 53' ' ' VAL . 5.2 mptt -54.98 -58.95 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.16 -41.48 65.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.573 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.428 ' HG ' ' CD1' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -59.08 -50.89 72.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.16 0.505 . . . . 0.0 111.101 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.489 ' CD1' HG13 ' A' ' 47' ' ' ILE . 2.2 mt -56.0 -41.81 69.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.59 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.66 -13.44 59.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.451 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.48 -33.17 13.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.02 -37.53 5.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.525 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.48 ' CD1' ' HA ' ' A' ' 36' ' ' ILE . 1.4 mp -103.51 30.39 5.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.003 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 p -61.33 -29.87 70.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.796 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -60.37 -47.69 84.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.988 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -154.46 140.04 17.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.318 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -111.63 82.65 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.366 179.563 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.7 -25.04 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.724 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -143.12 17.19 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.489 HG13 ' CD1' ' A' ' 36' ' ' ILE . 1.8 mm -137.51 49.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.246 0.546 . . . . 0.0 111.013 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -68.87 0.14 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.643 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.554 ' O ' HG22 ' A' ' 52' ' ' VAL . 28.8 mt-10 -108.64 -176.11 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.136 0.493 . . . . 0.0 111.631 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.496 ' HA ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -76.2 -41.32 49.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.094 179.363 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -42.58 97.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.554 HG22 ' O ' ' A' ' 49' ' ' GLU . 8.9 m -62.13 -42.7 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.019 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.709 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 1.9 t -51.97 -43.51 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 120.624 0.25 . . . . 0.0 111.444 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 4.1 m-20 -58.8 -55.77 30.85 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -63.58 -43.3 97.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.638 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.709 ' CG1' ' HA ' ' A' ' 53' ' ' VAL . 10.6 p -64.14 -50.75 75.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.163 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.522 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 1.7 tmm? -58.29 -43.02 87.84 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -66.98 -31.54 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.522 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.43 ' OG1' ' HB ' ' C' ' 10' ' ' ILE . 21.4 m -64.44 -30.08 71.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 HD12 ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -87.17 -26.62 23.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.415 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -43.6 95.91 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.861 0.362 . . . . 0.0 111.306 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -109.14 -56.44 2.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.713 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.4 31.74 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.1 9.87 58.13 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.502 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.21 23.02 11.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.808 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.17 -26.05 10.79 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.616 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.495 ' HB3' ' HG3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -94.6 -177.58 4.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.755 0.312 . . . . 0.0 110.544 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.507 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -121.22 86.12 2.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.372 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.5 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 7.8 p-10 -73.53 -159.16 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.502 ' CZ ' ' CD2' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -73.71 -30.85 63.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.38 . . . . 0.0 110.687 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.4 -39.49 87.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.373 0.606 . . . . 0.0 110.11 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.502 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 2.0 mm-40 -69.74 -31.81 70.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.827 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.501 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.42 -53.83 51.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.102 178.836 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.412 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 29.9 mmt -51.81 -54.31 30.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.546 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.13 74.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.444 ' CE2' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -55.63 -74.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.447 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.487 ' O ' ' CG2' ' A' ' 81' ' ' THR . 4.2 p -59.78 -36.67 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.182 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 74' ' ' MET . . . -65.86 -50.05 65.93 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.8 mtm -64.65 -67.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.261 0.553 . . . . 0.0 111.268 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.416 HG22 ' CD2' ' C' ' 7' ' ' TRP . 12.1 t -45.46 -27.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.341 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.516 ' HA ' ' HB2' ' A' ' 85' ' ' HIS . 15.9 p -78.66 -52.75 7.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.877 0.37 . . . . 0.0 111.43 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.5 m -45.07 -33.47 2.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.746 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.489 ' HB3' ' HA ' ' C' ' 5' ' ' ILE . . . -82.67 -65.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.9 p -84.83 -45.45 12.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.544 ' C ' ' H ' ' A' ' 87' ' ' PHE . 1.7 t60 -55.46 -16.69 4.0 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.497 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.489 ' O ' ' HB2' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -56.95 -0.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.843 177.338 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.544 ' H ' ' C ' ' A' ' 85' ' ' HIS . 60.2 m-85 83.79 34.65 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 36.2 p90 42.72 31.65 0.32 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.391 -178.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.441 ' HA ' ' HB3' ' C' ' 2' ' ' ARG . 2.2 tp10 -170.89 152.99 3.75 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.3 t-160 -139.49 -53.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.912 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.878 0.371 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -69.19 -13.92 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.418 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.8 mt -82.28 -25.65 33.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.549 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.94 -43.07 15.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.593 0.235 . . . . 0.0 111.357 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -49.42 29.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.859 0.362 . . . . 0.0 111.061 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.44 ' HB3' ' HB3' ' A' ' 6' ' ' ALA . . . -57.92 -50.85 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.53 ' O ' HG12 ' B' ' 11' ' ' ILE . 23.5 ttm -48.27 -63.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.467 ' HA ' ' CG1' ' B' ' 11' ' ' ILE . 19.0 t -69.26 -22.71 26.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.117 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.27 -41.78 94.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.291 0.567 . . . . 0.0 109.92 179.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.427 ' HG ' ' N ' ' B' ' 11' ' ' ILE . 1.1 pp -71.05 -37.14 72.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.727 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.53 HG12 ' O ' ' B' ' 7' ' ' MET . 2.6 mm -64.84 -43.57 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.525 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -40.61 18.17 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 39.5 t -58.04 -47.46 86.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.472 178.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.506 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -71.05 -26.86 63.27 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.618 179.466 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -81.46 -20.44 40.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.376 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.81 -38.11 26.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.539 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.426 ' CG ' ' HG ' ' B' ' 35' ' ' LEU . 1.8 m-85 -83.06 -55.15 4.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.05 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -62.76 -48.84 77.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.16 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.9 -29.31 50.64 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.765 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.67 -30.82 70.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -73.67 -74.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.51 -49.76 0.11 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.565 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -61.68 -39.09 90.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.784 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.83 32.4 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.438 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 9.8 t-160 -167.37 47.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.5 ' HG3' ' HB3' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -175.87 147.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' B' ' 68' ' ' CYS . 2.1 mm? -135.02 139.26 44.69 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.441 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -116.0 -178.21 3.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.122 0.487 . . . . 0.0 111.731 -179.087 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.471 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -59.41 -19.15 44.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.891 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 44.4 m -83.37 -54.49 4.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.82 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -78.27 -55.11 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.374 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -46.85 -61.03 2.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.55 -179.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.479 ' HG3' HG13 ' B' ' 53' ' ' VAL . 5.3 mptt -54.95 -58.99 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 111.11 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.11 -41.49 65.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.58 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.426 ' HG ' ' CG ' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -59.15 -50.89 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.146 0.498 . . . . 0.0 111.037 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.491 ' HA ' ' CD1' ' B' ' 40' ' ' LEU . 2.2 mt -55.93 -41.92 69.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.553 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.6 -13.41 59.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.519 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -94.66 -32.98 13.14 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.14 -37.5 5.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.506 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.491 ' CD1' ' HA ' ' B' ' 36' ' ' ILE . 1.4 mp -103.47 30.44 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.009 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.1 p -61.41 -29.81 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.775 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -60.41 -47.56 85.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.064 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -154.53 140.0 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.359 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.406 ' HB3' ' HB ' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -111.63 82.68 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.312 179.62 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.76 -25.08 25.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.698 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -143.06 17.22 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.49 HG13 ' CD1' ' B' ' 36' ' ' ILE . 1.8 mm -137.61 49.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.271 0.558 . . . . 0.0 111.021 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.85 -68.94 0.14 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.648 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.546 ' O ' HG22 ' B' ' 52' ' ' VAL . 28.9 mt-10 -108.73 -176.02 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.08 0.466 . . . . 0.0 111.59 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.482 ' HA ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -76.26 -41.35 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.115 179.442 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -42.61 97.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.194 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.546 HG22 ' O ' ' B' ' 49' ' ' GLU . 9.1 m -62.2 -42.7 96.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.038 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.719 ' HA ' ' CG1' ' B' ' 56' ' ' VAL . 1.9 t -51.92 -43.59 36.08 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-O 120.721 0.296 . . . . 0.0 111.416 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.43 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 4.1 m-20 -58.74 -55.78 30.68 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.562 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.405 ' HB3' HG12 ' D' ' 10' ' ' ILE . 2.4 ttmt -63.51 -43.31 97.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.719 ' CG1' ' HA ' ' B' ' 53' ' ' VAL . 10.6 p -64.2 -50.6 76.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.128 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.508 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 1.7 tmm? -58.43 -42.98 88.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.43 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -66.97 -31.58 72.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.619 179.101 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.427 ' OG1' ' HB ' ' D' ' 10' ' ' ILE . 21.6 m -64.37 -30.05 71.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.442 HD12 ' CE2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -87.27 -26.54 23.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.448 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -43.76 95.96 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.883 0.373 . . . . 0.0 111.276 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -109.06 -56.44 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.744 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.53 31.8 2.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.12 9.77 58.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.451 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.29 23.01 11.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.796 0.332 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.15 -26.14 10.72 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.5 ' HB3' ' HG3' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -94.6 -177.52 4.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.54 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.512 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -121.25 86.19 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.373 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.489 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 7.9 p-10 -73.55 -159.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.492 ' CZ ' ' CD2' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -73.81 -30.83 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.025 0.441 . . . . 0.0 110.741 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.4 -39.39 87.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.353 0.597 . . . . 0.0 110.204 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.495 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 2.0 mm-40 -69.68 -31.91 70.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.889 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.498 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.1 OUTLIER -55.44 -53.75 52.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.128 178.847 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' B' ' 78' ' ' ALA . 29.9 mmt -51.8 -54.41 29.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.512 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.41 -33.2 75.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.442 ' CE2' HD12 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -55.59 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.429 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.485 ' O ' ' CG2' ' B' ' 81' ' ' THR . 4.3 p -59.84 -36.7 67.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.125 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' B' ' 74' ' ' MET . . . -65.97 -49.96 66.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.76 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.8 mtm -64.73 -67.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.282 0.563 . . . . 0.0 111.257 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.423 HG22 ' CD2' ' D' ' 7' ' ' TRP . 12.3 t -45.53 -27.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.348 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.514 ' HA ' ' HB2' ' B' ' 85' ' ' HIS . 16.0 p -78.72 -52.76 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.0 111.383 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -45.1 -33.45 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.764 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.474 ' HB3' ' HA ' ' D' ' 5' ' ' ILE . . . -82.58 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 19.9 p -84.78 -45.5 12.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.064 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.554 ' C ' ' H ' ' B' ' 87' ' ' PHE . 1.7 t60 -55.47 -16.64 3.98 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.493 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.49 ' O ' ' HB2' ' B' ' 87' ' ' PHE . 0.4 OUTLIER -56.92 -1.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.8 177.397 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . 0.554 ' H ' ' C ' ' B' ' 85' ' ' HIS . 60.4 m-85 83.81 34.72 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -177.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 36.3 p90 42.74 31.61 0.32 Allowed 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.448 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.454 ' HA ' ' HB3' ' D' ' 2' ' ' ARG . 2.2 tp10 -170.87 152.86 3.73 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.81 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 15.2 t-160 -139.37 -53.03 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.905 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.728 0.299 . . . . 0.0 111.296 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . 0.441 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -50.42 -71.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 0.0 110.423 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -99.32 1.9 44.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.548 ' HD3' ' HB3' ' C' ' 6' ' ' ASP . 0.1 OUTLIER -79.22 -3.17 44.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.549 179.577 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.554 ' O ' ' CD1' ' C' ' 7' ' ' TRP . 0.2 OUTLIER 33.79 37.62 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 121.354 0.597 . . . . 0.0 111.589 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.548 ' HB3' ' HD3' ' C' ' 4' ' ' LYS . 17.9 p-10 -60.82 83.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.989 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.554 ' CD1' ' O ' ' C' ' 5' ' ' ILE . 20.6 m0 -75.47 -39.33 58.83 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.426 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' C' ' 12' ' ' SER . 3.8 m-20 168.41 -93.63 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.743 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.41 ' H ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -97.92 -44.81 6.53 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.659 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.553 HG23 ' CE3' ' C' ' 7' ' ' TRP . 0.0 OUTLIER -53.95 -59.24 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.034 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.55 ' N ' HG21 ' C' ' 10' ' ' ILE . 3.8 mm? -91.73 -12.88 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 47.2 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.165 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.678 0.275 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . 0.454 ' HB3' ' HA ' ' B' ' 89' ' ' GLU . 0.4 OUTLIER -50.38 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.436 179.766 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -99.25 1.88 45.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.977 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.545 ' HD3' ' HB3' ' D' ' 6' ' ' ASP . 0.1 OUTLIER -79.18 -3.12 44.14 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.495 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.544 ' O ' ' CD1' ' D' ' 7' ' ' TRP . 0.2 OUTLIER 33.85 37.48 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.31 0.576 . . . . 0.0 111.6 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.545 ' HB3' ' HD3' ' D' ' 4' ' ' LYS . 17.9 p-10 -60.84 83.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.075 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.557 ' CE3' HG23 ' D' ' 10' ' ' ILE . 20.2 m0 -75.39 -39.4 59.14 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.578 ' O ' ' HA ' ' D' ' 12' ' ' SER . 3.8 m-20 168.49 -93.58 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.708 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . 0.403 ' H ' ' CG2' ' B' ' 59' ' ' THR . 0.0 OUTLIER -98.0 -44.79 6.51 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.622 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.557 HG23 ' CE3' ' D' ' 7' ' ' TRP . 0.0 OUTLIER -53.87 -59.24 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -178.075 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.556 ' N ' HG21 ' D' ' 10' ' ' ILE . 3.8 mm? -91.77 -12.86 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.578 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 47.4 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.199 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.6 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.885 0.374 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.513 ' O ' ' HD2' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -61.81 -38.57 88.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.361 0.601 . . . . 0.0 110.745 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.469 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 0.7 OUTLIER -55.16 -23.05 19.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.834 179.752 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.44 -43.4 14.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.517 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.513 ' HD2' ' O ' ' A' ' 2' ' ' GLU . 0.0 OUTLIER -79.82 -34.38 39.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.698 0.285 . . . . 0.0 111.098 -179.562 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.97 -43.54 95.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.844 0.355 . . . . 0.0 110.633 179.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.5 ttm -58.86 -54.39 47.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.261 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.479 ' HA ' HG23 ' A' ' 11' ' ' ILE . 23.6 t -74.21 -17.54 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.466 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.22 -40.97 90.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.36 0.6 . . . . 0.0 109.453 178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.485 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -65.56 -58.97 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.072 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.479 HG23 ' HA ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -52.66 -38.36 27.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.504 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.7 -43.45 47.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.984 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.417 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 3.2 t -63.69 -34.15 66.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.559 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -79.7 -28.74 40.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.114 179.458 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.4 m170 -81.26 -15.96 54.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.01 -50.01 9.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.889 0.376 . . . . 0.0 110.001 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.519 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 3.7 m-85 -83.7 -60.54 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.433 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.85 127.99 34.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.904 0.383 . . . . 0.0 111.07 -179.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.627 ' N ' ' HB2' ' A' ' 24' ' ' LYS . . . 122.29 46.0 0.31 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.689 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -58.47 -33.95 70.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.474 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -128.35 29.07 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.68 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.64 -142.61 8.4 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.291 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -85.29 -29.88 24.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.627 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 66.15 -166.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.327 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 14.8 t-160 -168.82 -33.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.962 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.679 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.56 157.08 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.385 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.431 HD12 ' O ' ' A' ' 68' ' ' CYS . 3.4 mp -134.58 138.82 44.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 -178.67 3.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.321 -179.167 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB2' ' NZ ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -47.08 -44.01 20.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.775 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -56.77 -50.21 72.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.725 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' O ' ' CD2' ' A' ' 35' ' ' LEU . 0.3 OUTLIER -69.89 -68.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.973 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 30.9 tp -42.37 -71.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.91 -179.628 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.457 ' O ' ' HB ' ' A' ' 36' ' ' ILE . 75.2 mttt -42.58 -46.44 4.93 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.772 0.32 . . . . 0.0 111.711 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -49.2 -58.45 4.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.519 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 1.2 mm? -52.92 -32.59 46.3 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.924 0.392 . . . . 0.0 111.523 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.584 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 1.5 mt -58.93 -53.3 49.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.71 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -83.81 -8.17 59.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.636 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.423 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 5.7 t-20 -97.65 -18.57 18.81 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.411 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.0 OUTLIER -150.03 42.43 0.86 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.173 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.584 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 59.1 mt -135.13 -88.05 0.36 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.858 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.27 52.4 12.15 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.834 0.35 . . . . 0.0 111.459 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -155.47 -71.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.932 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.423 ' CD2' ' HA ' ' A' ' 91' ' ' GLU . 85.8 m-85 -106.14 -51.45 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.346 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.41 ' CB ' HD11 ' A' ' 40' ' ' LEU . 2.6 mm? -100.04 34.38 2.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.019 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.45 104.53 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.311 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.483 ' O ' ' CG2' ' A' ' 47' ' ' ILE . 2.3 mt-10 59.58 20.79 9.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.636 HG13 ' H ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 50.86 164.29 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 O-C-N 123.433 0.458 . . . . 0.0 111.511 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.636 ' H ' HG13 ' A' ' 47' ' ' ILE . 6.2 mtmt -54.76 -33.41 61.24 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 111.253 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.452 ' HB2' ' O ' ' A' ' 48' ' ' LYS . 6.6 tt0 174.39 175.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.714 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -16.83 61.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.08 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -81.29 -40.01 24.34 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.228 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG22 HG12 ' A' ' 47' ' ' ILE . 14.8 m -64.63 -38.35 82.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.622 ' CG2' HG23 ' A' ' 47' ' ' ILE . 74.3 t -64.56 -51.29 69.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.125 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.4 -32.85 18.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.235 0.54 . . . . 0.0 109.715 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -85.38 -30.69 23.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.478 178.339 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.481 HG22 ' HA ' ' A' ' 53' ' ' VAL . 55.0 t -61.15 -48.33 89.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 3.8 ptp -68.11 -39.48 82.8 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -32.94 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.115 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.493 ' CG2' ' HB2' ' C' ' 8' ' ' ASN . 34.5 m -76.92 -20.16 56.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.105 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 76' ' ' PHE . 7.3 mt -98.68 -17.88 18.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.04 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -40.59 93.26 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.066 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.48 -31.57 9.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.349 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 p30 179.1 38.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.624 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.74 5.83 22.5 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.934 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 63.04 24.79 14.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.683 0.278 . . . . 0.0 111.198 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.64 18.34 11.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.67 -0.776 . . . . 0.0 113.15 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.36 159.51 33.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.791 0.329 . . . . 0.0 110.338 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.431 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -100.99 86.58 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.949 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.679 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -74.35 -175.01 2.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 0.0 110.386 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.573 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -63.27 -35.54 80.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.778 -179.514 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' O ' HG22 ' B' ' 82' ' ' THR . 0.2 OUTLIER -74.19 -26.36 60.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -77.96 -38.4 45.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.333 -179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.584 ' C ' ' CD1' ' A' ' 73' ' ' PHE . 0.1 OUTLIER -73.44 -31.81 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.655 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.433 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 6.7 mmm -61.9 -60.94 2.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' O ' ' HB3' ' A' ' 79' ' ' MET . . . -60.52 -23.53 64.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.752 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 60' ' ' LEU . 20.7 t80 -67.37 -71.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.901 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.46 ' O ' ' CG2' ' A' ' 81' ' ' THR . 22.8 t -45.6 -29.92 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-O 121.108 0.48 . . . . 0.0 110.654 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.42 ' O ' ' CG2' ' A' ' 82' ' ' THR . . . -85.98 -44.65 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.969 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.446 ' HG3' ' O ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -69.53 -41.45 75.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.342 0.591 . . . . 0.0 110.571 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.467 ' CG2' ' CE1' ' A' ' 76' ' ' PHE . 57.9 t -64.61 -42.99 96.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.843 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.46 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 52.2 p -73.35 -49.13 28.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.06 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.426 HG22 ' O ' ' B' ' 71' ' ' GLN . 13.3 p -46.22 -31.81 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.904 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.62 -68.66 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -53.84 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.525 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 6.2 t60 -47.11 -20.44 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.0 110.952 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.458 ' HA ' ' CE2' ' B' ' 70' ' ' PHE . 30.2 tt0 -55.03 -65.66 0.54 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.032 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -13.86 6.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -95.14 -18.52 20.87 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.626 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 85' ' ' HIS . 4.7 mt-10 59.46 109.19 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.415 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -99.53 -72.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.423 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 13.9 pt-20 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 84.9 p . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.515 ' O ' ' HD2' ' B' ' 5' ' ' LYS . 0.2 OUTLIER -61.95 -38.6 89.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.282 0.563 . . . . 0.0 110.689 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.474 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 0.7 OUTLIER -55.02 -23.17 18.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.92 179.666 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.4 -43.27 14.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.611 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.515 ' HD2' ' O ' ' B' ' 2' ' ' GLU . 0.0 OUTLIER -79.85 -34.38 39.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.701 0.286 . . . . 0.0 111.086 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.94 -43.65 95.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.891 0.376 . . . . 0.0 110.533 179.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.5 ttm -58.84 -54.22 49.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.314 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.466 ' HA ' HG23 ' B' ' 11' ' ' ILE . 24.0 t -74.35 -17.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.381 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.35 -40.91 90.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.489 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -65.6 -58.94 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.099 179.081 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.466 HG23 ' HA ' ' B' ' 8' ' ' VAL . 0.8 OUTLIER -52.69 -38.3 27.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.513 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.73 -43.38 47.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.972 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.423 ' CG1' ' HG ' ' B' ' 35' ' ' LEU . 3.2 t -63.74 -34.12 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.615 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.537 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -79.54 -28.99 41.24 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.192 179.394 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.406 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.4 m170 -81.1 -15.92 54.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.9 -50.15 9.5 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.863 0.363 . . . . 0.0 110.031 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.502 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 3.6 m-85 -83.66 -60.45 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.453 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.95 128.03 34.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.637 ' N ' ' HB2' ' B' ' 24' ' ' LYS . . . 122.24 46.04 0.31 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.718 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -58.44 -33.95 70.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.965 0.412 . . . . 0.0 110.491 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -128.45 28.99 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.599 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.76 -142.69 8.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.299 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -85.21 -29.94 24.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 110.893 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.637 ' HB2' ' N ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER 66.19 -166.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.331 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.444 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 14.8 t-160 -168.92 -33.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.702 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.68 157.01 20.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.419 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.428 HD12 ' O ' ' B' ' 68' ' ' CYS . 3.4 mp -134.53 138.8 44.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 -178.73 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.355 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.401 ' HB2' ' NZ ' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -47.11 -43.87 20.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.86 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -56.86 -50.17 73.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.646 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.449 ' O ' ' CD2' ' B' ' 35' ' ' LEU . 0.3 OUTLIER -70.02 -68.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.889 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 30.5 tp -42.29 -71.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.911 -179.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.453 ' O ' ' HB ' ' B' ' 36' ' ' ILE . 75.2 mttt -42.48 -46.41 4.79 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 111.835 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.434 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -49.22 -58.47 4.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.001 -179.264 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.502 ' CD1' ' CD1' ' B' ' 17' ' ' TYR . 1.2 mm? -52.92 -32.58 46.33 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.936 0.398 . . . . 0.0 111.48 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.588 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 1.5 mt -58.97 -53.21 50.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.695 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -83.83 -8.27 59.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.419 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 5.8 t-20 -97.66 -18.49 18.85 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.967 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' B' ' 35' ' ' LEU . 0.0 OUTLIER -150.08 42.38 0.85 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.588 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 59.6 mt -135.11 -88.09 0.36 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.852 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.29 52.3 12.29 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.782 0.325 . . . . 0.0 111.527 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -155.37 -71.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.42 ' CD2' ' HA ' ' B' ' 91' ' ' GLU . 85.8 m-85 -106.07 -51.45 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.379 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -100.06 34.41 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.993 179.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.46 104.57 0.05 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.298 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.477 ' O ' ' CG2' ' B' ' 47' ' ' ILE . 2.3 mt-10 59.6 20.71 9.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.181 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.63 HG13 ' H ' ' B' ' 48' ' ' LYS . 0.6 OUTLIER 50.89 164.23 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 O-C-N 123.394 0.434 . . . . 0.0 111.554 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.63 ' H ' HG13 ' B' ' 47' ' ' ILE . 6.2 mtmt -54.77 -33.36 61.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.74 0.305 . . . . 0.0 111.185 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' B' ' 48' ' ' LYS . 6.6 tt0 174.32 175.16 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.724 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -16.72 61.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.092 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -81.4 -40.0 24.1 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.211 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.471 HG22 HG12 ' B' ' 47' ' ' ILE . 14.5 m -64.66 -38.34 82.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.624 ' CG2' HG23 ' B' ' 47' ' ' ILE . 73.9 t -64.66 -51.29 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.104 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.3 -32.92 18.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.255 0.55 . . . . 0.0 109.712 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.1 OUTLIER -85.3 -30.75 23.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.448 178.361 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.493 HG22 ' HA ' ' B' ' 53' ' ' VAL . 54.7 t -61.23 -48.21 90.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.642 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 3.8 ptp -68.2 -39.36 82.46 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.672 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -32.79 74.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.121 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.489 ' N ' ' O ' ' B' ' 55' ' ' LYS . 33.6 m -77.02 -20.24 56.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.054 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.486 ' CD1' ' CD1' ' B' ' 76' ' ' PHE . 7.3 mt -98.73 -17.74 18.37 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.008 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -40.66 93.26 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.108 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.5 -31.5 9.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.419 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 179.15 38.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.65 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.75 5.7 22.51 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.915 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 63.09 24.71 14.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.616 0.246 . . . . 0.0 111.25 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.71 18.32 11.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.642 -0.79 . . . . 0.0 113.053 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.26 159.52 32.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.704 0.288 . . . . 0.0 110.434 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.428 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.5 OUTLIER -101.0 86.51 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.571 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.702 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -74.31 -175.06 2.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.971 0.415 . . . . 0.0 110.375 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.572 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -63.19 -35.6 80.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.767 -179.517 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.426 ' O ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -74.2 -26.32 60.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.282 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -77.87 -38.46 45.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.301 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.578 ' C ' ' CD1' ' B' ' 73' ' ' PHE . 0.1 OUTLIER -73.44 -31.92 64.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.564 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.431 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 6.7 mmm -61.86 -60.9 2.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.44 ' O ' ' HB3' ' B' ' 79' ' ' MET . . . -60.5 -23.61 64.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.658 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.486 ' CD1' ' CD1' ' B' ' 60' ' ' LEU . 20.8 t80 -67.37 -71.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.903 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.453 ' O ' ' CG2' ' B' ' 81' ' ' THR . 22.9 t -45.53 -29.96 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.128 0.49 . . . . 0.0 110.669 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.426 ' O ' ' CG2' ' B' ' 82' ' ' THR . . . -86.0 -44.65 12.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.947 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.453 ' HG3' ' O ' ' B' ' 76' ' ' PHE . 0.0 OUTLIER -69.56 -41.46 75.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.325 0.583 . . . . 0.0 110.499 -179.499 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' B' ' 76' ' ' PHE . 57.7 t -64.68 -42.98 96.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.766 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.453 ' CG2' ' O ' ' B' ' 77' ' ' VAL . 53.6 p -73.27 -49.17 29.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.426 ' CG2' ' O ' ' B' ' 78' ' ' ALA . 12.9 p -46.4 -31.71 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.856 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.414 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -80.55 -68.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -53.73 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.526 ' HA ' ' HA ' ' B' ' 89' ' ' GLU . 6.2 t60 -47.33 -20.27 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.939 0.399 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.46 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 30.2 tt0 -55.12 -65.66 0.54 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.019 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.19 -13.8 6.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.799 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -95.27 -18.36 20.89 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.615 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.526 ' HA ' ' HA ' ' B' ' 85' ' ' HIS . 4.7 mt-10 59.43 109.24 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.76 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.409 ' O ' ' CD1' ' B' ' 43' ' ' PHE . 0.1 OUTLIER -99.51 -72.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.951 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.42 ' HA ' ' CD2' ' B' ' 43' ' ' PHE . 13.8 pt-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.727 0.298 . . . . 0.0 111.314 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.45 -71.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.72 -4.75 32.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.597 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.615 ' O ' ' CD1' ' C' ' 5' ' ' ILE . 0.5 OUTLIER -83.23 -1.07 52.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.857 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.68 HD13 ' C ' ' C' ' 5' ' ' ILE . 1.9 pp 56.92 -13.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.125 0.97 . . . . 0.0 113.31 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.59 ' H ' ' C ' ' C' ' 4' ' ' LYS . 4.2 t70 43.41 59.98 2.79 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.501 ' HD1' ' O ' ' C' ' 5' ' ' ILE . 10.9 m0 -98.7 -68.99 0.78 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.522 ' O ' ' HA ' ' C' ' 12' ' ' SER . 0.8 OUTLIER 159.58 -95.88 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.311 178.51 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.431 ' H ' HG22 ' A' ' 59' ' ' THR . 0.1 OUTLIER -98.21 -39.38 8.89 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 -178.679 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.492 HG23 ' CE3' ' C' ' 7' ' ' TRP . 0.0 OUTLIER -54.32 -59.72 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -177.451 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.466 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 1.0 OUTLIER -94.6 -18.37 21.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.074 0.464 . . . . 0.0 110.315 179.541 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 53.1 p . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.194 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.671 0.272 . . . . 0.0 111.311 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.45 -71.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.8 -4.71 32.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.543 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.62 ' O ' ' CD1' ' D' ' 5' ' ' ILE . 0.5 OUTLIER -83.32 -1.05 52.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.752 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.677 HD13 ' C ' ' D' ' 5' ' ' ILE . 1.9 pp 56.94 -13.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.103 0.961 . . . . 0.0 113.362 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.583 ' H ' ' C ' ' D' ' 4' ' ' LYS . 4.3 t70 43.43 59.9 2.82 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.499 ' CD1' ' CD1' ' D' ' 5' ' ' ILE . 10.9 m0 -98.7 -68.9 0.78 Allowed 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.514 ' O ' ' HA ' ' D' ' 12' ' ' SER . 0.8 OUTLIER 159.51 -95.84 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.307 178.445 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . 0.425 ' H ' HG22 ' B' ' 59' ' ' THR . 0.1 OUTLIER -98.21 -39.44 8.86 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.732 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.49 HG23 ' CE3' ' D' ' 7' ' ' TRP . 0.0 OUTLIER -54.23 -59.65 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -177.474 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.471 ' N ' ' CG2' ' D' ' 10' ' ' ILE . 1.0 OUTLIER -94.55 -18.46 21.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.045 0.45 . . . . 0.0 110.323 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 53.0 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.235 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.802 0.334 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -56.09 -23.72 35.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.403 ' CD2' ' CE ' ' A' ' 7' ' ' MET . 1.3 tt -66.91 -49.95 63.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -74.64 -38.47 62.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 5.6 mtpp -67.36 -49.65 63.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.266 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.02 -51.92 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.533 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.705 ' O ' HG12 ' A' ' 11' ' ' ILE . 7.4 ptp -50.86 -49.13 59.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.682 0.277 . . . . 0.0 110.785 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.518 ' N ' ' HG3' ' A' ' 7' ' ' MET . 52.0 t -78.42 -23.64 13.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.513 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.02 -42.6 85.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.268 0.556 . . . . 0.0 109.838 179.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HG ' HD12 ' A' ' 11' ' ' ILE . 1.5 pp -72.0 -40.29 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.765 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.705 HG12 ' O ' ' A' ' 7' ' ' MET . 3.0 mm -62.26 -43.57 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.12 -43.82 20.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.772 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 38.4 t -57.0 -41.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.398 178.863 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -77.48 -27.95 52.13 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.673 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.452 ' CD2' HG21 ' A' ' 11' ' ' ILE . 24.3 m-70 -73.32 -24.52 60.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.813 0.339 . . . . 0.0 111.311 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.81 -52.25 5.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.76 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CD2' HD11 ' A' ' 35' ' ' LEU . 5.1 m-85 -83.75 -57.88 3.03 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 14' ' ' PHE . 3.3 t -36.37 -33.81 0.05 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.0 135.44 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.078 -1.058 . . . . 0.0 113.233 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -105.55 -39.62 6.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.514 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -148.15 93.06 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.61 -147.24 16.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.614 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.57 -66.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 63.95 110.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.291 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.418 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 12.0 t-160 179.85 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.541 ' HA ' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -111.47 156.81 21.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.725 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.489 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 4.8 mp -134.36 139.43 45.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.479 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 11.6 pttt -109.64 -178.39 3.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.243 0.544 . . . . 0.0 112.093 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.525 ' HB2' ' HE2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -45.6 -33.78 3.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.542 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -61.9 1.77 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.298 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.425 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 3.2 mp0 -65.85 -59.13 4.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.779 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.84 -70.25 0.11 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.552 ' HD2' ' HB ' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -53.24 -28.26 26.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 111.339 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.459 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -60.45 -64.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.847 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' HA ' ' HB3' ' A' ' 38' ' ' ASN . 1.3 mm? -46.53 -32.31 3.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.999 0.428 . . . . 0.0 111.198 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.574 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 1.4 mt -53.27 -64.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.726 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.67 -7.94 59.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.716 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.499 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 4.6 t30 -86.16 -32.72 21.1 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.646 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 56.31 0.47 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.574 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 13.1 mt -119.83 57.24 0.93 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.728 178.137 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.74 80.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.048 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -178.68 -40.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.606 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -172.2 37.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.37 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.437 ' HB3' ' HB2' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -46.81 -80.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.311 -179.771 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.17 26.81 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 110.679 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.518 ' O ' ' CG2' ' A' ' 47' ' ' ILE . 26.2 tt0 52.86 40.22 30.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.949 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.687 HG13 ' H ' ' A' ' 48' ' ' LYS . 0.6 OUTLIER 50.89 163.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 O-C-N 123.463 0.477 . . . . 0.0 111.083 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.687 ' H ' HG13 ' A' ' 47' ' ' ILE . 0.1 OUTLIER -53.53 -30.18 40.37 Favored 'General case' 0 C--O 1.231 0.086 0 O-C-N 121.984 -0.448 . . . . 0.0 111.572 -178.494 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' O ' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER 170.31 178.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 0.0 111.29 -179.783 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -76.95 -18.26 58.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.819 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.08 -40.03 24.76 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.079 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.505 HG21 ' O ' ' A' ' 49' ' ' GLU . 26.5 m -62.42 -44.83 99.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.625 ' CG2' HG22 ' A' ' 47' ' ' ILE . 55.7 t -67.04 -47.81 81.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.224 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.04 -37.55 46.05 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HB3' ' CG1' ' C' ' 10' ' ' ILE . 14.0 ttmt -79.51 -35.6 39.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.918 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.524 HG21 ' HA ' ' A' ' 53' ' ' VAL . 53.1 t -56.62 -55.69 18.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.019 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -32.31 70.66 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.37 -33.7 74.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.369 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.508 ' CG2' ' HB2' ' C' ' 8' ' ' ASN . 0.2 OUTLIER -64.64 -24.13 67.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.247 179.034 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.481 HD21 ' HA ' ' A' ' 76' ' ' PHE . 2.8 mt -106.91 -9.89 16.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.431 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -44.11 95.16 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 111.269 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -71.22 -61.63 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.694 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.4 39.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.32 -56.64 0.87 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.232 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.24 33.46 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.28 . . . . 0.0 111.651 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 2.88 59.27 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.952 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.505 ' HB3' ' HG3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -96.25 -176.81 3.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.447 0.624 . . . . 0.0 110.46 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.489 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.1 OUTLIER -112.53 86.64 2.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.444 -179.497 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.541 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 8.8 p-10 -85.66 -175.32 5.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' B' ' 86' ' ' GLU . 0.0 OUTLIER -61.06 -32.17 71.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.007 0.432 . . . . 0.0 110.758 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -61.17 -36.12 78.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.067 -179.233 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.443 ' HB3' ' HB2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -76.74 -30.81 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.372 179.676 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.515 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -51.86 -50.12 61.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.377 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.41 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 10.1 mmm -65.63 -62.63 1.4 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.499 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.47 -27.91 2.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.035 0.445 . . . . 0.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.481 ' HA ' HD21 ' A' ' 60' ' ' LEU . 48.8 t80 -74.12 -74.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.2 p -54.79 -31.22 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.815 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.418 ' CB ' ' CB ' ' B' ' 78' ' ' ALA . . . -70.96 -50.21 37.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.333 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.8 mtm -74.54 -60.9 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.238 0.542 . . . . 0.0 111.134 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.456 HG13 ' CE2' ' C' ' 7' ' ' TRP . 62.6 t -43.08 -46.93 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.087 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 85' ' ' HIS . 1.4 t -70.1 -48.38 57.84 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.153 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.428 ' N ' ' CG2' ' A' ' 81' ' ' THR . 1.2 p -51.19 -27.25 8.36 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.508 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -82.44 -67.65 0.77 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 p -86.96 -51.25 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.483 ' CB ' ' OG1' ' A' ' 81' ' ' THR . 6.6 t60 -49.54 -23.45 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.063 0.459 . . . . 0.0 110.797 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.501 ' HA ' ' CE1' ' B' ' 70' ' ' PHE . 30.5 tt0 -49.15 -64.63 0.75 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.416 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.73 -25.17 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -82.88 -15.12 52.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.444 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 3.1 mt-10 59.65 169.1 0.07 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -59.31 -42.63 91.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -56.16 -23.6 35.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.403 ' CD2' ' CE ' ' B' ' 7' ' ' MET . 1.3 tt -66.96 -49.95 63.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.68 -38.47 62.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 5.5 mtpp -67.27 -49.74 63.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.285 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -51.98 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.556 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.699 ' O ' HG12 ' B' ' 11' ' ' ILE . 7.4 ptp -50.87 -49.16 59.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.632 0.253 . . . . 0.0 110.775 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.504 ' N ' ' HG3' ' B' ' 7' ' ' MET . 52.6 t -78.45 -23.53 13.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.508 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.12 -42.57 86.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.235 0.54 . . . . 0.0 109.784 179.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.439 ' HG ' HD12 ' B' ' 11' ' ' ILE . 1.5 pp -71.9 -40.41 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.79 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.699 HG12 ' O ' ' B' ' 7' ' ' MET . 2.9 mm -62.21 -43.54 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.11 -43.78 20.79 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.796 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 38.6 t -57.08 -41.24 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.416 178.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -77.47 -27.97 52.18 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.631 179.574 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.448 ' CD2' HG21 ' B' ' 11' ' ' ILE . 24.3 m-70 -73.42 -24.37 60.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.343 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.97 -52.12 5.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.702 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.498 ' CD2' HD11 ' B' ' 35' ' ' LEU . 5.2 m-85 -83.78 -57.86 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -178.038 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 14' ' ' PHE . 3.3 t -36.26 -33.92 0.05 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.56 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.92 135.93 3.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.139 -1.029 . . . . 0.0 113.213 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -106.24 -39.4 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.945 0.402 . . . . 0.0 110.467 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -148.21 92.89 2.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.63 -147.21 16.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.599 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -56.56 -66.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 63.87 110.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.372 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 12.1 t-160 179.93 -34.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.532 ' HA ' ' HB3' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -111.41 156.81 21.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.735 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.502 ' HB2' ' O ' ' B' ' 68' ' ' CYS . 4.8 mp -134.32 139.37 45.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.823 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.45 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 11.5 pttt -109.69 -178.4 3.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.256 0.55 . . . . 0.0 112.074 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.508 ' HB2' ' HE2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -45.59 -33.78 3.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.553 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -61.87 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.427 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 3.2 mp0 -65.88 -59.18 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.759 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -41.75 -70.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.566 ' HD2' ' HB ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -53.32 -28.13 26.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.892 0.377 . . . . 0.0 111.346 -179.609 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.445 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -60.5 -64.13 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.838 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.498 HD11 ' CD2' ' B' ' 17' ' ' TYR . 1.3 mm? -46.57 -32.33 3.36 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.097 0.475 . . . . 0.0 111.213 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.575 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 1.4 mt -53.18 -64.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.677 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.62 -7.89 59.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.496 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 4.6 t30 -86.29 -32.64 20.97 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.672 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 56.38 0.47 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.575 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 13.0 mt -119.86 57.25 0.93 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.646 178.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.74 80.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -178.65 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -172.21 37.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.421 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.444 ' HB3' ' HB2' ' B' ' 40' ' ' LEU . 0.1 OUTLIER -46.77 -80.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.371 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.16 26.73 1.55 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.847 0.356 . . . . 0.0 110.739 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.519 ' O ' ' CG2' ' B' ' 47' ' ' ILE . 26.3 tt0 52.9 40.26 30.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.914 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.69 HG13 ' H ' ' B' ' 48' ' ' LYS . 0.6 OUTLIER 50.91 163.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.69 ' H ' HG13 ' B' ' 47' ' ' ILE . 0.1 OUTLIER -53.62 -30.06 40.88 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 122.049 -0.407 . . . . 0.0 111.582 -178.469 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.491 ' O ' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER 170.28 178.41 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.107 0.479 . . . . 0.0 111.272 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.94 -18.21 58.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.797 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.05 -40.13 24.68 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.032 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.501 ' CG1' ' HB2' ' B' ' 48' ' ' LYS . 26.0 m -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.636 ' CG2' HG22 ' B' ' 47' ' ' ILE . 54.9 t -66.9 -47.85 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.244 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.04 -37.51 45.79 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.433 ' HB3' ' CG1' ' D' ' 10' ' ' ILE . 14.1 ttmt -79.52 -35.6 39.77 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.241 -0.891 . . . . 0.0 108.921 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.509 HG21 ' HA ' ' B' ' 53' ' ' VAL . 52.9 t -56.49 -55.71 17.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.066 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -32.3 70.68 Favored 'General case' 0 CA--C 1.523 -0.096 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.34 -33.62 74.63 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.465 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.503 ' CG2' ' HB2' ' D' ' 8' ' ' ASN . 0.2 OUTLIER -64.66 -24.09 67.47 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.269 178.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.493 HD21 ' HA ' ' B' ' 76' ' ' PHE . 2.8 mt -106.99 -9.93 16.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.367 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -44.09 95.08 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.912 0.387 . . . . 0.0 111.338 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -71.18 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.862 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.33 39.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.24 -56.5 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.254 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.2 33.28 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.684 0.278 . . . . 0.0 111.7 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.08 2.95 59.49 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.839 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.487 ' HB3' ' HG3' ' B' ' 26' ' ' LYS . 0.1 OUTLIER -96.19 -176.79 3.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 117.545 0.672 . . . . 0.0 110.411 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.502 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 0.1 OUTLIER -112.57 86.63 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.458 -179.612 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.532 ' HB3' ' HA ' ' B' ' 26' ' ' LYS . 8.9 p-10 -85.59 -175.34 5.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.501 ' CE1' ' HA ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -60.97 -32.25 71.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.997 0.427 . . . . 0.0 110.776 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -61.1 -36.23 79.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.985 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.466 ' HB3' ' HB2' ' B' ' 60' ' ' LEU . 0.6 OUTLIER -76.74 -30.83 56.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.315 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.496 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -51.93 -50.06 61.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.397 179.29 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.408 ' CE ' HG23 ' A' ' 81' ' ' THR . 10.1 mmm -65.7 -62.56 1.44 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.506 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.53 -27.91 3.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.953 0.406 . . . . 0.0 110.877 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.493 ' HA ' HD21 ' B' ' 60' ' ' LEU . 48.9 t80 -74.1 -74.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.1 p -54.78 -31.11 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.418 ' CB ' ' CB ' ' A' ' 78' ' ' ALA . . . -71.01 -50.11 37.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.423 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.8 mtm -74.59 -60.91 2.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.162 0.506 . . . . 0.0 111.162 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.445 HG13 ' CE2' ' D' ' 7' ' ' TRP . 63.1 t -43.08 -46.89 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.123 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.471 ' OG1' ' CB ' ' B' ' 85' ' ' HIS . 1.4 t -70.14 -48.23 58.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.197 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.429 ' N ' ' CG2' ' B' ' 81' ' ' THR . 1.2 p -51.34 -27.16 8.96 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.531 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -82.46 -67.67 0.77 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 8.3 p -86.92 -51.26 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.471 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 6.6 t60 -49.6 -23.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.013 0.435 . . . . 0.0 110.72 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.498 ' HA ' ' CE1' ' A' ' 70' ' ' PHE . 30.5 tt0 -49.02 -64.77 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.411 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.66 -25.18 5.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.462 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -82.84 -15.16 52.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.446 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 3.1 mt-10 59.63 169.11 0.07 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.83 0.347 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -59.35 -42.57 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.66 0.267 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -57.71 -71.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 66.9 p -98.41 -1.5 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.365 179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.573 ' O ' HG12 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -82.53 -2.02 52.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.923 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.573 HG12 ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 47.2 10.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 123.445 0.698 . . . . 0.0 112.81 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.471 ' H ' ' C ' ' C' ' 4' ' ' LYS . 46.3 t0 53.59 17.4 1.17 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.539 ' O ' ' CB ' ' C' ' 8' ' ' ASN . 19.6 m95 -71.52 -69.85 0.36 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.692 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' C' ' 7' ' ' TRP . 6.7 m-20 146.86 -96.1 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.299 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.429 ' H ' HG21 ' A' ' 59' ' ' THR . 1.9 tmtt? -97.93 -44.2 6.78 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.511 ' CG2' ' N ' ' C' ' 11' ' ' LEU . 0.1 OUTLIER -53.8 -58.83 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -177.634 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.511 ' N ' ' CG2' ' C' ' 10' ' ' ILE . 2.4 mp -93.44 -15.74 25.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.919 0.39 . . . . 0.0 110.645 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.498 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 49.1 p . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.212 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.79 0.329 . . . . 0.0 111.335 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -57.65 -71.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 67.5 p -98.45 -1.54 41.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.345 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.561 ' O ' HG12 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -82.53 -2.01 52.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.927 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.561 HG12 ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 47.3 9.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.389 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.481 ' H ' ' C ' ' D' ' 4' ' ' LYS . 46.2 t0 53.63 17.29 1.16 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.524 ' O ' ' CB ' ' D' ' 8' ' ' ASN . 19.7 m95 -71.4 -69.9 0.35 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.806 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.524 ' CB ' ' O ' ' D' ' 7' ' ' TRP . 6.6 m-20 146.88 -95.95 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.292 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . 0.424 ' H ' HG21 ' B' ' 59' ' ' THR . 1.9 tmtt? -97.99 -44.3 6.71 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.513 ' CG2' ' N ' ' D' ' 11' ' ' LEU . 0.1 OUTLIER -53.78 -58.81 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -177.613 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.513 ' N ' ' CG2' ' D' ' 10' ' ' ILE . 2.4 mp -93.45 -15.62 25.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.506 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 49.3 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.179 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.811 0.338 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.43 -36.09 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.212 0.529 . . . . 0.0 110.861 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.461 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 3.9 mt -59.04 -25.07 63.39 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -81.06 -46.93 14.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.49 -42.92 41.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.104 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.28 -35.94 78.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.963 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.491 ' O ' HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -61.91 -62.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.462 ' HA ' HG12 ' A' ' 11' ' ' ILE . 24.3 t -69.51 -22.09 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.751 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.57 -43.34 89.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.397 0.617 . . . . 0.0 109.832 179.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.431 ' CD1' HD12 ' A' ' 11' ' ' ILE . 1.1 pp -70.43 -38.16 74.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.646 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.491 HG12 ' O ' ' A' ' 7' ' ' MET . 5.3 mm -62.83 -41.29 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.21 -40.92 35.42 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 29.9 t -57.57 -43.16 82.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.487 178.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.519 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -78.1 -37.29 46.75 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.368 179.474 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.495 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -68.54 -16.2 63.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.235 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.15 -51.86 6.73 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.277 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 5.6 m-85 -83.49 -56.32 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.376 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' PHE . 8.5 t -56.36 -40.73 75.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.66 51.07 4.36 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.031 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.69 -56.8 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.641 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.88 154.11 35.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.67 -139.73 14.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.624 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -23.36 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.664 0.268 . . . . 0.0 111.163 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? 63.1 37.82 11.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 23.6 t-160 -155.13 41.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.538 ' HG2' ' HB3' ' A' ' 69' ' ' ASP . 0.1 OUTLIER -166.64 155.37 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.88 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.599 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 3.0 mp -136.75 138.98 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.59 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.464 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -112.5 -173.43 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.183 0.516 . . . . 0.0 112.274 -178.801 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -51.34 -24.94 5.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.428 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.5 m -78.62 -55.89 4.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.943 0.401 . . . . 0.0 110.522 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 0.8 OUTLIER -68.68 -59.97 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.124 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.34 -69.51 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.621 -179.582 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.607 ' HG3' HG12 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -48.61 -32.29 7.95 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 111.157 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -63.17 -62.77 1.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.52 -179.44 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.524 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 1.3 mm? -46.95 -34.16 5.27 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.039 0.447 . . . . 0.0 111.169 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.433 ' HB ' ' O ' ' A' ' 33' ' ' LYS . 1.4 mt -52.28 -66.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.341 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -73.46 -17.04 61.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.574 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.42 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 16.0 t30 -71.63 -53.32 14.05 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.576 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.417 ' HG2' ' C ' ' A' ' 38' ' ' ASN . 8.5 mm-40 -154.85 61.49 0.66 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.429 ' CD2' ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -75.96 -81.74 0.08 Allowed 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.553 179.204 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t 171.83 -72.72 0.0 OUTLIER 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.616 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.411 ' CE1' ' HB2' ' A' ' 43' ' ' PHE . 29.1 p80 -121.3 -48.68 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.739 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.411 ' HB2' ' CE1' ' A' ' 42' ' ' HIS . 0.2 OUTLIER -93.78 53.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.496 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 pp -88.98 19.18 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.68 -179.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.86 57.54 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.523 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 47' ' ' ILE . 22.0 mt-10 55.67 43.16 28.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.704 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.627 HG12 ' CG2' ' A' ' 52' ' ' VAL . 7.9 tt 50.19 162.61 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.05 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.635 ' HB2' HG22 ' A' ' 52' ' ' VAL . 7.1 mtmm -43.35 -24.77 0.11 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.08 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.468 ' N ' HG21 ' A' ' 52' ' ' VAL . 2.5 mt-10 166.11 172.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.734 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -21.34 62.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.894 0.378 . . . . 0.0 110.506 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -80.1 -41.19 26.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.635 HG22 ' HB2' ' A' ' 48' ' ' LYS . 13.7 m -63.65 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.607 HG12 ' HG3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -65.49 -43.78 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.31 -33.1 52.02 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -86.96 -30.11 21.54 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.249 178.133 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.535 ' HB ' ' HA ' ' A' ' 53' ' ' VAL . 74.3 t -64.88 -51.35 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.1 mtp -61.0 -44.99 96.62 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.87 -36.52 83.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.579 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.553 ' CG2' ' HB3' ' C' ' 8' ' ' ASN . 16.5 m -79.58 -15.73 57.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.959 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.534 ' CD2' ' HB2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -91.86 -49.98 5.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.1 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -43.94 119.0 1.6 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.717 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -90.45 -51.91 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.58 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 178.03 44.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' O ' ' HB3' ' A' ' 65' ' ' ASP . . . -98.78 -60.7 0.88 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.054 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.4 ' HB3' ' O ' ' A' ' 64' ' ' GLY . 45.0 p30 174.44 30.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.626 0.251 . . . . 0.0 111.314 179.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.07 -14.89 57.85 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.395 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.464 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -91.85 178.01 6.02 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.05 0.452 . . . . 0.0 110.585 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.599 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.5 OUTLIER -117.98 86.2 2.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.406 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.538 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 6.0 p-10 -79.68 -168.87 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.424 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.542 ' CZ ' ' HA ' ' B' ' 82' ' ' THR . 0.6 OUTLIER -63.0 -34.51 77.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.967 0.413 . . . . 0.0 110.588 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -38.12 73.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.49 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 22.3 mm-40 -75.79 -24.46 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.423 179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.519 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -60.73 -65.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.728 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.46 ' HB3' ' HA ' ' B' ' 78' ' ' ALA . 0.0 OUTLIER -55.75 -44.79 77.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.279 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -59.34 -40.92 87.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.208 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.534 ' HB2' ' CD2' ' A' ' 60' ' ' LEU . 51.4 t80 -65.23 -74.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.705 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -44.03 -31.49 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.245 0.545 . . . . 0.0 110.65 -179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.479 ' HA ' ' HB3' ' B' ' 74' ' ' MET . . . -85.31 -33.43 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.145 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.504 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -85.68 -39.46 17.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.49 . . . . 0.0 111.456 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.504 ' N ' ' HG3' ' A' ' 79' ' ' MET . 27.2 t -68.54 -49.76 62.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.659 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -71.54 -51.02 25.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.1 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.538 ' HA ' ' CZ ' ' B' ' 70' ' ' PHE . 35.1 m -47.97 -30.14 4.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.679 0.276 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -72.42 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.761 0.315 . . . . 0.0 111.315 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.406 ' O ' ' N ' ' A' ' 88' ' ' PHE . 10.9 p -87.78 -49.19 7.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.257 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' A' ' 81' ' ' THR . 35.5 t60 -47.34 -24.03 0.69 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.88 0.372 . . . . 0.0 110.992 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' ' CE2' ' B' ' 70' ' ' PHE . 27.9 tt0 -50.82 -65.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.758 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.89 -18.52 7.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.459 ' CZ ' ' HB ' ' C' ' 3' ' ' THR . 21.9 m-85 -91.64 -12.33 34.5 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.691 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.434 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 1.9 mt-10 59.26 -176.31 0.09 Allowed 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -51.1 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.924 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.91 0.386 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.429 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -60.46 -35.94 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.267 0.555 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.429 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 3.9 mt -59.08 -25.19 63.57 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -81.05 -46.9 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.52 -42.94 41.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.091 -179.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -61.26 -35.93 78.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.989 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.491 ' O ' HG12 ' B' ' 11' ' ' ILE . 1.0 OUTLIER -61.98 -62.95 1.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.425 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.441 ' HA ' HG12 ' B' ' 11' ' ' ILE . 23.9 t -69.5 -22.08 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.769 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.66 -43.19 89.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.397 0.618 . . . . 0.0 109.847 179.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.43 ' CD1' HD12 ' B' ' 11' ' ' ILE . 1.1 pp -70.52 -38.22 74.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.644 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.491 HG12 ' O ' ' B' ' 7' ' ' MET . 5.3 mm -62.65 -41.5 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.01 -40.98 33.06 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 30.1 t -57.61 -43.12 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.512 178.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.52 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -78.17 -37.29 46.15 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.284 179.469 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.49 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -68.55 -16.21 63.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.15 -51.83 6.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.51 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 5.6 m-85 -83.58 -56.4 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.421 ' HB3' ' O ' ' B' ' 14' ' ' PHE . 8.5 t -56.27 -40.8 74.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.289 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.7 51.7 4.46 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.875 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.4 -56.61 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 110.654 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.1 153.84 34.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.79 -139.79 14.89 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.607 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -23.28 61.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.638 0.256 . . . . 0.0 111.23 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? 63.07 37.73 11.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.113 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 23.6 t-160 -155.1 41.79 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.541 ' HG2' ' HB3' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -166.6 155.38 10.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.909 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.602 ' HB2' ' O ' ' B' ' 68' ' ' CYS . 2.9 mp -136.69 139.06 41.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.562 179.317 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.446 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -112.6 -173.51 2.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.22 0.533 . . . . 0.0 112.219 -178.847 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.47 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -51.11 -25.11 4.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.481 -179.794 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 62.8 m -78.46 -55.99 4.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.987 0.422 . . . . 0.0 110.587 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 0.8 OUTLIER -68.62 -60.03 2.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.096 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -43.26 -69.5 0.13 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.686 -179.546 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.591 ' HG3' HG12 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -48.57 -32.46 8.11 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 111.074 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.442 ' HB2' ' O ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -63.04 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.5 -179.402 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.51 ' CD1' ' CD1' ' B' ' 17' ' ' TYR . 1.3 mm? -46.88 -34.26 5.26 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.087 0.47 . . . . 0.0 111.209 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.436 ' HA ' ' CD2' ' B' ' 40' ' ' LEU . 1.4 mt -52.18 -66.69 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.392 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -73.47 -17.01 61.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.624 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.415 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 16.0 t30 -71.71 -53.24 14.12 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.576 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.408 ' HG2' ' C ' ' B' ' 38' ' ' ASN . 8.6 mm-40 -154.79 61.43 0.66 Allowed 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.436 ' CD2' ' HA ' ' B' ' 36' ' ' ILE . 0.2 OUTLIER -75.95 -81.67 0.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.604 179.214 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t 171.85 -72.73 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.594 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' B' ' 43' ' ' PHE . 29.2 p80 -121.33 -48.67 2.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.742 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.415 ' HB2' ' CE1' ' B' ' 42' ' ' HIS . 0.2 OUTLIER -93.73 53.3 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.063 0.458 . . . . 0.0 110.516 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.9 pp -89.09 19.31 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.65 -179.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.87 57.58 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.938 0.399 . . . . 0.0 110.458 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' B' ' 47' ' ' ILE . 21.9 mt-10 55.66 43.19 28.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.622 HG12 ' CG2' ' B' ' 52' ' ' VAL . 7.9 tt 50.17 162.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.019 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.643 ' HB2' HG22 ' B' ' 52' ' ' VAL . 7.1 mtmm -43.39 -24.75 0.11 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.458 ' O ' ' CG2' ' B' ' 53' ' ' VAL . 2.5 mt-10 166.1 172.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.319 . . . . 0.0 110.665 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -21.24 62.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.534 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -80.21 -41.19 25.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.643 HG22 ' HB2' ' B' ' 48' ' ' LYS . 13.6 m -63.67 -40.13 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.591 HG12 ' HG3' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -65.46 -43.87 94.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.842 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.29 -33.03 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -87.06 -30.14 21.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.233 178.103 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.509 ' HB ' ' HA ' ' B' ' 53' ' ' VAL . 75.0 t -64.75 -51.46 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.374 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 26.0 mtp -60.88 -45.04 96.14 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.73 -36.69 83.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.562 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.534 ' CG2' ' HB3' ' D' ' 8' ' ' ASN . 16.5 m -79.47 -15.78 57.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.923 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.528 ' CD2' ' HB2' ' B' ' 76' ' ' PHE . 0.3 OUTLIER -91.89 -49.99 5.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.057 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -43.95 119.02 1.6 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.689 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -90.46 -51.83 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.648 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.99 44.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.401 ' O ' ' HB3' ' B' ' 65' ' ' ASP . . . -98.85 -60.71 0.88 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.043 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . 0.401 ' HB3' ' O ' ' B' ' 64' ' ' GLY . 44.9 p30 174.43 31.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.544 0.211 . . . . 0.0 111.18 179.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.11 -14.96 57.72 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.314 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.446 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -91.86 178.08 6.0 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 117.126 0.463 . . . . 0.0 110.626 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.602 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 0.5 OUTLIER -118.06 86.13 2.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.387 179.697 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.541 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 6.0 p-10 -79.57 -168.84 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.538 ' CZ ' ' HA ' ' A' ' 82' ' ' THR . 0.6 OUTLIER -63.04 -34.5 77.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.914 0.388 . . . . 0.0 110.572 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -38.17 73.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.414 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 22.3 mm-40 -75.77 -24.35 56.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.362 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.52 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -60.84 -65.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.745 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.479 ' HB3' ' HA ' ' A' ' 78' ' ' ALA . 0.0 OUTLIER -55.72 -44.78 77.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.252 -179.697 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -59.47 -40.88 88.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.182 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.528 ' HB2' ' CD2' ' B' ' 60' ' ' LEU . 51.5 t80 -65.26 -74.76 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.65 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 3.4 m -44.1 -31.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 121.194 0.521 . . . . 0.0 110.579 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.46 ' HA ' ' HB3' ' A' ' 74' ' ' MET . . . -85.3 -33.45 22.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.159 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.511 ' HG3' ' N ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER -85.77 -39.41 17.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 111.361 -179.36 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.511 ' N ' ' HG3' ' B' ' 79' ' ' MET . 27.9 t -68.61 -49.7 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.619 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.463 ' O ' ' HB3' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -71.53 -50.99 25.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.054 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.542 ' HA ' ' CZ ' ' A' ' 70' ' ' PHE . 36.0 m -48.07 -30.0 4.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.717 0.294 . . . . 0.0 111.032 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.46 -72.32 0.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.27 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.8 p -87.88 -49.16 7.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.463 ' HB3' ' O ' ' B' ' 81' ' ' THR . 35.7 t60 -47.3 -23.98 0.67 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 111.031 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.501 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 27.9 tt0 -50.92 -65.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.814 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.01 -18.48 6.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.459 ' CZ ' ' HB ' ' D' ' 3' ' ' THR . 21.9 m-85 -91.64 -12.36 34.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.683 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.442 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 1.9 mt-10 59.26 -176.34 0.09 Allowed 'General case' 0 CA--C 1.526 0.034 0 CA-C-O 120.859 0.362 . . . . 0.0 110.838 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.13 -51.03 2.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.866 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.772 0.32 . . . . 0.0 111.209 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -56.82 -71.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.698 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' THR . . . . . 0.459 ' HB ' ' CZ ' ' A' ' 88' ' ' PHE . 3.9 t -98.32 -3.33 37.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.451 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.64 ' O ' ' CD1' ' C' ' 5' ' ' ILE . 4.8 tmtt? -80.55 -1.51 42.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.075 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.695 ' C ' HD12 ' C' ' 5' ' ' ILE . 1.8 pp 55.09 -8.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' C' ' 4' ' ' LYS . 13.3 t0 39.94 57.23 2.35 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.621 ' O ' ' HB2' ' C' ' 8' ' ' ASN . 8.6 m95 -93.86 -69.07 0.77 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.621 ' HB2' ' O ' ' C' ' 7' ' ' TRP . 18.3 t-20 165.15 -103.26 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.05 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.93 -34.18 10.55 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.518 HG23 ' CE3' ' C' ' 7' ' ' TRP . 0.0 OUTLIER -54.47 -60.04 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -177.925 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.524 ' CD2' HG12 ' C' ' 5' ' ' ILE . 1.0 OUTLIER -95.31 -22.84 17.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.164 0.507 . . . . 0.0 110.11 179.441 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.484 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 20.7 p . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.023 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.741 0.305 . . . . 0.0 111.179 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -56.67 -71.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.757 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' THR . . . . . 0.459 ' HB ' ' CZ ' ' B' ' 88' ' ' PHE . 3.9 t -98.36 -3.31 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.41 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.638 ' O ' ' CD1' ' D' ' 5' ' ' ILE . 4.8 tmtt? -80.52 -1.59 42.52 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.032 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.7 ' C ' HD12 ' D' ' 5' ' ' ILE . 1.8 pp 55.12 -8.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -179.097 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.566 ' H ' ' C ' ' D' ' 4' ' ' LYS . 13.4 t0 40.03 57.22 2.4 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.607 ' O ' ' HB2' ' D' ' 8' ' ' ASN . 8.6 m95 -93.85 -69.06 0.77 Allowed 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.607 ' HB2' ' O ' ' D' ' 7' ' ' TRP . 18.3 t-20 165.18 -103.35 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.95 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.76 -34.21 10.6 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.506 HG23 ' CE3' ' D' ' 7' ' ' TRP . 0.0 OUTLIER -54.47 -59.99 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.89 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.525 ' CD2' HG12 ' D' ' 5' ' ' ILE . 1.0 OUTLIER -95.38 -22.83 17.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.184 0.516 . . . . 0.0 110.099 179.555 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.483 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 20.4 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.065 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.768 0.318 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.471 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.7 OUTLIER -55.67 -37.3 68.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.144 0.497 . . . . 0.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.471 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 2.0 mp -53.68 -36.58 62.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.974 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.83 -35.45 67.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.749 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -77.23 -37.64 52.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' B' ' 6' ' ' ALA . . . -64.64 -35.28 80.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.534 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -67.2 -50.56 60.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.572 ' HA ' HG13 ' A' ' 11' ' ' ILE . 22.0 t -76.22 -27.39 17.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.691 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.96 -42.46 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 109.27 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.93 -53.4 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.325 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.572 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 mt -51.53 -53.61 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.98 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.42 -37.64 1.65 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.051 0.453 . . . . 0.0 110.358 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.416 HG11 HD12 ' A' ' 35' ' ' LEU . 38.4 t -67.44 -48.28 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.539 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.586 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -76.15 -25.99 55.83 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.775 0.322 . . . . 0.0 111.115 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -81.01 -18.17 47.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.17 -179.71 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -83.59 -41.57 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.307 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.454 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 2.0 m-85 -83.07 -70.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.498 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 1.2 t -59.49 125.73 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.84 -28.8 3.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.369 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -67.51 -40.18 85.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.5 -67.6 0.43 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.73 -41.46 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.2 -49.41 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 1.1 tmtp? 60.39 157.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.424 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 12.8 t-160 83.48 -36.03 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.709 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.98 163.67 13.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.81 0.338 . . . . 0.0 110.391 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 4.9 mp -136.31 141.08 43.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.549 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.404 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -102.64 174.36 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.959 0.409 . . . . 0.0 111.617 -179.225 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -48.76 -27.83 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.756 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.426 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 1.9 m -79.57 -47.9 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.733 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 5.9 mm-40 -62.74 -68.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.314 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.96 -68.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.893 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.456 ' HG3' ' CG1' ' A' ' 53' ' ' VAL . 12.6 ttmt -44.98 -66.41 0.4 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.926 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 30' ' ' SER . 11.9 mm-40 -46.74 -43.12 17.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.454 ' HG ' ' CE1' ' A' ' 17' ' ' TYR . 1.2 tt -60.38 -45.45 93.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.275 0.56 . . . . 0.0 110.378 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.463 HG23 ' CD1' ' A' ' 47' ' ' ILE . 0.9 OUTLIER -54.7 -58.16 4.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.084 179.624 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.403 ' N ' HG22 ' A' ' 36' ' ' ILE . 2.9 t-20 -61.03 -20.11 62.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.239 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -82.92 -34.21 26.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.028 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -114.49 21.34 14.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.639 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.408 ' CD1' HG21 ' A' ' 36' ' ' ILE . 28.0 mt -149.72 -73.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.44 -81.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.9 -32.73 61.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 0.0 110.73 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -83.6 58.86 4.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.687 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.72 85.83 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.824 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -97.05 -31.24 12.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.052 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -113.82 1.34 14.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.73 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.529 HG21 HD12 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -133.0 77.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.278 179.762 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.405 ' HG2' HG23 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -82.76 2.58 33.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.728 179.24 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -177.15 173.97 1.73 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.468 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.41 -34.81 58.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.994 0.425 . . . . 0.0 110.667 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.27 -41.85 80.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.276 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 49' ' ' GLU . 25.2 m -61.19 -44.74 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.159 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.459 ' CG2' HG22 ' A' ' 47' ' ' ILE . 2.0 t -52.8 -49.01 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.8 0.333 . . . . 0.0 110.667 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -52.05 -48.36 64.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.092 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -68.76 -31.84 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.719 178.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.41 HG23 HG13 ' C' ' 10' ' ' ILE . 93.1 t -63.64 -59.13 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.935 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.66 -24.02 54.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.015 0.436 . . . . 0.0 110.001 178.826 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -37.83 28.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.402 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.465 HG23 ' HB3' ' C' ' 8' ' ' ASN . 26.2 m -74.06 -7.36 52.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.089 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD23 ' HA ' ' A' ' 76' ' ' PHE . 1.5 mt -113.0 -12.55 13.21 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.74 125.83 10.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.733 0.302 . . . . 0.0 110.594 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.28 -51.66 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.252 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.95 44.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.905 0.383 . . . . 0.0 111.148 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.95 7.66 21.62 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.366 179.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.56 24.59 13.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.926 0.393 . . . . 0.0 110.481 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.88 -20.2 5.74 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.356 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.404 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -90.93 -179.83 5.58 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.023 0.439 . . . . 0.0 110.456 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.444 ' O ' HD11 ' A' ' 27' ' ' LEU . 1.7 m -120.92 104.44 9.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.709 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -94.68 -176.97 4.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.322 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.528 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 29.9 t80 -58.94 -18.97 38.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.243 0.545 . . . . 0.0 110.494 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.91 -41.57 97.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.73 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.475 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 1.5 pp20? -78.2 -21.06 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.414 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.586 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.78 -51.84 66.03 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.587 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.445 ' HB3' ' CB ' ' B' ' 78' ' ' ALA . 21.0 mmt -63.48 -53.39 52.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.1 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.23 -33.45 65.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.67 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.483 ' HA ' HD23 ' A' ' 60' ' ' LEU . 57.7 t80 -65.85 -75.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.575 ' O ' ' HB ' ' A' ' 81' ' ' THR . 0.9 OUTLIER -52.26 -26.01 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.039 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.444 ' CB ' ' HB3' ' B' ' 74' ' ' MET . . . -82.59 -46.36 13.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.9 mtm -70.62 -54.0 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 0.0 110.575 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.465 ' HA ' ' CD1' ' C' ' 7' ' ' TRP . 85.7 t -56.04 -42.06 70.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.985 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.575 ' HB ' ' O ' ' A' ' 77' ' ' VAL . 3.4 m -65.97 -60.96 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.601 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -42.94 -29.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.599 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' C' ' 5' ' ' ILE . . . -77.4 -72.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.409 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.504 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 4.5 p -89.38 -56.01 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.498 ' CD2' ' CE2' ' B' ' 70' ' ' PHE . 6.5 t60 -43.4 -26.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.118 0.485 . . . . 0.0 110.957 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -49.73 -64.08 0.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.553 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.15 -26.36 8.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.788 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 0.8 OUTLIER -67.33 -21.18 65.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.561 179.463 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.47 ' HB2' ' HA ' ' A' ' 85' ' ' HIS . 25.5 tp10 -104.46 92.57 4.37 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.878 0.37 . . . . 0.0 110.9 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.53 -56.29 2.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.845 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.725 0.298 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.469 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.7 OUTLIER -55.66 -37.23 68.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.06 0.457 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.469 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 2.0 mp -53.7 -36.6 62.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.81 -35.49 67.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.734 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -77.25 -37.69 52.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.423 ' HB2' ' HB2' ' A' ' 6' ' ' ALA . . . -64.57 -35.22 80.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.534 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -67.17 -50.77 59.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.574 ' HA ' HG13 ' B' ' 11' ' ' ILE . 22.0 t -76.13 -27.37 17.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.691 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.92 -42.42 79.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.61 0.719 . . . . 0.0 109.246 179.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.12 -53.25 52.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.29 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.574 HG13 ' HA ' ' B' ' 8' ' ' VAL . 1.4 mt -51.53 -53.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.968 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -42.31 -37.72 1.61 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.055 0.455 . . . . 0.0 110.327 179.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.412 HG11 HD12 ' B' ' 35' ' ' LEU . 38.3 t -67.52 -48.14 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.517 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.59 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -76.29 -25.94 55.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 111.097 -179.786 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -81.02 -18.16 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.208 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -83.62 -41.52 17.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 110.352 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.448 ' CE1' ' HG ' ' B' ' 35' ' ' LEU . 2.0 m-85 -83.12 -70.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.17 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.498 ' HB2' ' HG ' ' B' ' 27' ' ' LEU . 1.2 t -59.53 125.75 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.968 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.8 -28.74 3.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.44 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -67.48 -40.13 85.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.54 -67.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.66 -41.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.2 -49.34 77.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 1.1 tmtp? 60.25 157.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.428 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 12.8 t-160 83.5 -36.02 0.07 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.517 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.69 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.0 163.67 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.341 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.498 ' HG ' ' HB2' ' B' ' 18' ' ' SER . 4.9 mp -136.26 141.18 43.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.528 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.435 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.2 OUTLIER -102.79 174.3 5.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.958 0.409 . . . . 0.0 111.567 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.2 mttt -48.62 -27.82 3.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.806 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.428 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 1.9 m -79.6 -47.93 14.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.723 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.414 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 5.9 mm-40 -62.78 -68.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 111.273 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.92 -68.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.879 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.452 ' HG3' ' CG1' ' B' ' 53' ' ' VAL . 12.7 ttmt -44.98 -66.3 0.42 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.921 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' B' ' 30' ' ' SER . 12.0 mm-40 -46.89 -43.0 18.43 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.887 0.375 . . . . 0.0 110.949 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.448 ' HG ' ' CE1' ' B' ' 17' ' ' TYR . 1.2 tt -60.47 -45.41 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.353 0.597 . . . . 0.0 110.387 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.461 HG23 ' CD1' ' B' ' 47' ' ' ILE . 0.9 OUTLIER -54.69 -58.24 4.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.055 179.572 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.421 ' N ' HG22 ' B' ' 36' ' ' ILE . 2.9 t-20 -61.03 -19.98 62.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.306 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -82.99 -34.11 26.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.034 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.58 21.36 14.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.633 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.41 ' CD1' HG21 ' B' ' 36' ' ' ILE . 27.8 mt -149.75 -73.44 0.17 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.76 0.314 . . . . 0.0 110.84 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.57 -81.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -74.77 -32.75 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.782 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -83.54 58.9 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -87.72 85.95 7.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.769 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -97.21 -31.36 12.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -113.73 1.35 14.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.746 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.469 HG21 HD12 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -132.96 77.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.302 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.406 ' HG2' HG23 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -82.74 2.6 33.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.772 179.226 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.468 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.5 OUTLIER -177.21 173.93 1.71 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.386 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.36 -34.81 58.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 110.661 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.33 -41.81 80.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.304 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.468 HG22 ' O ' ' B' ' 49' ' ' GLU . 24.8 m -61.21 -44.83 99.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.078 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' B' ' 47' ' ' ILE . 2.0 t -52.79 -49.06 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.746 0.308 . . . . 0.0 110.7 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -51.93 -48.31 64.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.911 0.386 . . . . 0.0 110.191 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -68.71 -31.94 71.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.734 178.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.414 HG23 HG13 ' D' ' 10' ' ' ILE . 92.9 t -63.6 -59.23 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.833 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -57.64 -24.01 54.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.031 0.443 . . . . 0.0 110.029 178.884 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.97 -37.67 28.93 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.399 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.466 HG23 ' HB3' ' D' ' 8' ' ' ASN . 26.2 m -74.12 -7.39 52.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.115 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.457 HD23 ' HA ' ' B' ' 76' ' ' PHE . 1.6 mt -113.01 -12.48 13.22 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.77 125.83 10.87 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.742 0.306 . . . . 0.0 110.66 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.25 -51.62 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.309 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.93 44.72 0.58 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.148 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -115.03 7.52 21.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.324 179.613 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.71 24.47 13.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.442 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.85 -20.07 5.76 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.342 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.435 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -90.96 -179.92 5.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.01 0.433 . . . . 0.0 110.44 179.715 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.451 ' O ' HD11 ' B' ' 27' ' ' LEU . 1.7 m -120.81 104.43 9.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.65 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.69 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -94.78 -176.9 4.01 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.366 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.519 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 30.1 t80 -59.15 -18.74 38.79 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.205 0.526 . . . . 0.0 110.449 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -64.1 -41.54 97.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.481 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 1.5 pp20? -78.07 -21.22 50.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.59 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.1 OUTLIER -55.66 -51.96 65.48 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.611 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.444 ' HB3' ' CB ' ' A' ' 78' ' ' ALA . 20.8 mmt -63.36 -53.43 52.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.159 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.36 65.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.744 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.457 ' HA ' HD23 ' B' ' 60' ' ' LEU . 58.3 t80 -65.82 -75.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.512 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.569 ' O ' ' HB ' ' B' ' 81' ' ' THR . 0.9 OUTLIER -52.29 -26.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.993 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.445 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -82.49 -46.26 13.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.0 mtm -70.63 -53.99 13.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.167 0.508 . . . . 0.0 110.554 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.456 ' HA ' ' CD1' ' D' ' 7' ' ' TRP . 85.3 t -56.09 -42.05 71.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.921 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.569 ' HB ' ' O ' ' B' ' 77' ' ' VAL . 3.3 m -65.93 -61.06 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.53 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -42.89 -29.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.646 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -77.46 -72.3 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.34 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.498 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 4.5 p -89.34 -56.08 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.49 ' CD2' ' CE2' ' A' ' 70' ' ' PHE . 6.4 t60 -43.29 -26.4 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.113 0.482 . . . . 0.0 110.964 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -49.75 -64.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.514 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.17 -26.24 8.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.735 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.498 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 0.8 OUTLIER -67.39 -21.1 65.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.559 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.471 ' HB2' ' HA ' ' B' ' 85' ' ' HIS . 25.4 tp10 -104.53 92.49 4.32 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.923 0.392 . . . . 0.0 110.956 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.53 -56.28 2.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.818 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.604 0.24 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . 0.478 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -52.61 -71.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.58 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -98.72 1.78 46.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.141 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.512 ' C ' ' CD1' ' C' ' 5' ' ' ILE . 0.1 OUTLIER -81.45 -1.86 47.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.035 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.585 ' O ' ' CD1' ' C' ' 7' ' ' TRP . 0.2 OUTLIER 32.63 39.54 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 121.461 0.648 . . . . 0.0 111.16 -179.283 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' C' ' 12' ' ' SER . 31.0 t0 -57.52 81.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.875 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.585 ' CD1' ' O ' ' C' ' 5' ' ' ILE . 34.8 m0 -71.7 -54.71 9.44 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' C' ' 12' ' ' SER . 22.8 t30 172.35 -82.57 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.444 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.95 -55.54 2.76 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.59 HG22 ' CD2' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.04 -59.63 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -177.661 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.59 ' CD2' HG22 ' C' ' 10' ' ' ILE . 4.0 mm? -87.35 -11.7 48.59 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.192 0.52 . . . . 0.0 109.854 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 19.9 p . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.043 -0.98 . . . . 0.0 111.392 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.661 0.267 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . 0.485 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -52.61 -71.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.56 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -98.73 1.77 46.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.517 ' C ' ' CD1' ' D' ' 5' ' ' ILE . 0.1 OUTLIER -81.36 -2.04 47.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.016 179.774 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.582 ' O ' ' CD1' ' D' ' 7' ' ' TRP . 0.2 OUTLIER 32.72 39.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 121.394 0.616 . . . . 0.0 111.165 -179.214 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.431 ' HA ' ' O ' ' D' ' 12' ' ' SER . 31.0 t0 -57.57 82.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.843 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.582 ' CD1' ' O ' ' D' ' 5' ' ' ILE . 34.8 m0 -71.7 -54.69 9.5 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.505 ' O ' ' HA ' ' D' ' 12' ' ' SER . 22.7 t30 172.23 -82.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.429 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -97.85 -55.59 2.75 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.583 HG22 ' CD2' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.1 -59.58 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.594 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.583 ' CD2' HG22 ' D' ' 10' ' ' ILE . 4.0 mm? -87.34 -11.75 48.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.214 0.53 . . . . 0.0 109.776 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 19.6 p . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.068 -0.968 . . . . 0.0 111.4 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.863 0.363 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.4 ' HA ' ' CD ' ' A' ' 5' ' ' LYS . 1.7 mt-10 -58.62 -23.15 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -25.8 61.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.08 -47.32 15.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -69.88 -49.78 48.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.154 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.75 -37.85 69.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 0.0 111.242 179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -68.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 110.402 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 20.0 t -65.96 -25.36 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.839 179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 5' ' ' LYS . . . -51.3 -43.3 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.088 0.47 . . . . 0.0 110.409 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.515 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -73.47 -47.32 42.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.26 179.256 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.458 HD13 ' CE1' ' A' ' 70' ' ' PHE . 6.9 mm -54.4 -50.64 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.178 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' A' ' 16' ' ' GLN . 1.1 m-20 -51.42 -52.34 46.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.432 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.407 ' O ' ' CG ' ' A' ' 16' ' ' GLN . 21.7 t -45.48 -48.2 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.855 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.56 ' CD2' ' CD1' ' A' ' 27' ' ' LEU . 2.6 m-30 -81.24 -33.28 32.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 110.473 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.26 -22.89 66.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.034 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.442 ' HG3' ' N ' ' A' ' 17' ' ' TYR . 10.5 pt20 -84.47 -44.11 13.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.7 0.286 . . . . 0.0 110.811 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.461 ' CE2' ' HB3' ' A' ' 34' ' ' GLU . 3.6 m-85 -83.18 -50.94 7.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.387 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 10.2 t -58.97 -49.18 78.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.227 -179.623 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.57 -21.57 28.69 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.985 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -54.98 -56.75 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.713 0.292 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.94 114.46 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.65 -158.61 23.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.596 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -74.43 -7.61 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.504 0.192 . . . . 0.0 111.416 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 tttt 69.29 13.96 8.54 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.676 0.274 . . . . 0.0 111.353 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -125.09 -36.96 2.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 179.632 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.689 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.81 160.67 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.13 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.625 HD12 ' O ' ' A' ' 68' ' ' CYS . 5.7 mp -135.26 141.72 45.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.918 0.39 . . . . 0.0 110.739 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -93.04 -178.94 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.775 -179.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 4.9 mptt -51.33 -27.73 10.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.366 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.08 -41.15 18.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.057 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.403 ' CB ' ' HB3' ' A' ' 27' ' ' LEU . 21.6 mt-10 -75.73 -56.83 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.497 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.05 -59.9 3.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.899 0.38 . . . . 0.0 111.467 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.522 ' CG ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -58.08 -32.14 67.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 -179.511 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -53.46 -50.28 65.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.073 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' HA ' ' HB3' ' A' ' 38' ' ' ASN . 1.6 mm? -65.09 -30.87 71.86 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.816 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.684 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 1.6 mt -60.96 -48.17 90.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.334 0.588 . . . . 0.0 109.579 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -83.07 -10.28 58.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.615 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.456 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 9.3 t-20 -92.99 -34.67 13.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.589 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -156.03 46.57 0.47 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.284 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.684 ' CD1' ' HA ' ' A' ' 36' ' ' ILE . 85.0 mt -150.8 87.77 1.44 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 110.585 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 p -131.97 27.05 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -122.74 -76.79 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.715 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.413 ' CD1' HG13 ' A' ' 80' ' ' VAL . 2.4 m-85 -70.55 -64.28 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 179.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.42 HD13 ' CE2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -62.11 -21.87 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.738 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 61.69 28.43 17.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 54.92 63.59 2.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.525 HG21 ' CG2' ' A' ' 53' ' ' VAL . 12.7 pt 39.51 92.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.776 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.81 -27.96 3.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.579 -179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.488 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -164.22 -178.52 5.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.556 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.61 -34.02 58.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.043 0.449 . . . . 0.0 110.276 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.19 -42.08 76.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.058 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.488 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.2 m -60.61 -43.81 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.673 0.273 . . . . 0.0 110.805 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.811 ' HA ' HG13 ' A' ' 56' ' ' VAL . 2.7 t -53.02 -68.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.706 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 3.5 t0 -43.53 -32.15 0.86 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.453 ' HB3' HG12 ' C' ' 10' ' ' ILE . 18.1 ttmt -84.37 -40.72 17.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.897 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.811 HG13 ' HA ' ' A' ' 53' ' ' VAL . 11.2 p -70.77 -35.36 60.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.455 ' N ' HG12 ' A' ' 56' ' ' VAL . 0.2 OUTLIER -77.16 -26.73 53.3 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.854 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 17.5 mt-10 -79.79 -38.41 33.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.937 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' THR . . . . . . . . . . . . . 43.2 m -57.52 -21.41 37.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.525 179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 76' ' ' PHE . 1.5 mt -92.18 -24.13 19.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.821 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.81 107.93 0.2 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -128.74 -45.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -156.22 41.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 7.72 54.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.714 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.35 27.23 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.89 23.78 11.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.664 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.65 177.59 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.354 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.625 ' O ' HD12 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -112.04 88.85 2.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.689 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -78.9 -173.0 3.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.618 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.538 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.21 -23.05 61.19 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.09 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 1.2 pt20 -69.87 -30.3 67.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 0.0 110.676 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 2.1 mt-10 -70.61 -38.37 73.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.538 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -77.29 -20.47 54.98 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.307 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.482 ' HE1' ' HA ' ' B' ' 78' ' ' ALA . 12.7 mmm -68.72 -42.68 77.32 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.503 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -72.83 -26.06 61.35 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.763 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.772 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 45.4 t80 -64.1 -70.0 0.25 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.49 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.465 ' O ' ' HB ' ' A' ' 81' ' ' THR . 1.4 p -48.23 -29.56 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 121.177 0.513 . . . . 0.0 110.381 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.493 ' HA ' ' HE1' ' B' ' 74' ' ' MET . . . -84.68 -35.63 22.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.163 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.772 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 6.0 ptp -81.81 -44.44 16.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.029 0.442 . . . . 0.0 111.237 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.514 ' N ' ' HG3' ' A' ' 79' ' ' MET . 93.0 t -68.15 -40.79 83.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.34 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.643 ' HA ' ' HB2' ' A' ' 85' ' ' HIS . 6.4 t -63.55 -49.67 72.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.196 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.415 ' N ' ' CG2' ' A' ' 81' ' ' THR . 62.5 m -51.85 -39.3 58.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.091 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.441 ' CB ' ' HA ' ' C' ' 5' ' ' ILE . . . -65.98 -72.5 0.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.714 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.462 ' HA ' ' O ' ' C' ' 2' ' ' ARG . 0.0 OUTLIER -88.7 -55.85 3.54 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.003 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.643 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 7.1 t60 -43.62 -24.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.803 0.335 . . . . 0.0 111.49 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.411 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.7 tm-20 -43.83 -63.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.762 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.85 -5.89 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.72 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.444 ' CZ ' ' CG2' ' C' ' 3' ' ' THR . 35.3 m-85 -96.23 -9.76 29.65 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.874 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.456 ' HB3' ' CG ' ' A' ' 85' ' ' HIS . 1.8 pp20? -47.41 148.15 1.44 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.752 0.31 . . . . 0.0 111.18 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -179.28 -47.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.896 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -58.62 -23.14 58.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.25 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -25.88 61.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.873 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -47.32 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -69.84 -49.85 48.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.109 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -55.64 -37.99 68.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 111.2 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -68.34 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.37 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 19.7 t -65.9 -25.46 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.896 179.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.401 ' N ' ' O ' ' B' ' 5' ' ' LYS . . . -51.31 -43.28 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.001 0.429 . . . . 0.0 110.366 179.464 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.521 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -73.54 -47.33 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.192 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.465 HD13 ' CE1' ' B' ' 70' ' ' PHE . 7.0 mm -54.47 -50.52 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . 0.429 ' O ' ' HG2' ' B' ' 16' ' ' GLN . 1.1 m-20 -51.43 -52.34 47.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.445 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.405 ' O ' ' CG ' ' B' ' 16' ' ' GLN . 21.7 t -45.52 -48.16 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.839 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.553 ' CD2' ' CD1' ' B' ' 27' ' ' LEU . 2.6 m-30 -81.23 -33.27 32.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -66.29 -22.85 66.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.971 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . 0.446 ' HG3' ' N ' ' B' ' 17' ' ' TYR . 10.6 pt20 -84.46 -44.08 14.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.456 ' CE2' ' HB3' ' B' ' 34' ' ' GLU . 3.6 m-85 -83.28 -50.87 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.347 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 10.3 t -59.08 -49.08 79.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.198 -179.512 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.69 -21.49 29.15 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.01 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -54.95 -56.73 16.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 111.182 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.93 114.48 7.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.6 -158.67 23.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.645 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -74.3 -7.67 53.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.485 0.183 . . . . 0.0 111.436 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 tttt 69.28 13.93 8.55 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.723 0.297 . . . . 0.0 111.352 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 15.9 t-160 -125.03 -36.96 2.48 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 179.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.684 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.82 160.58 16.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.14 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.634 HD12 ' O ' ' B' ' 68' ' ' CYS . 5.7 mp -135.21 141.76 45.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.801 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -93.01 -179.02 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.809 -178.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 4.9 mptt -51.19 -27.81 9.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.393 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -41.15 19.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.073 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 21.6 mt-10 -75.8 -56.84 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.455 -179.539 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 3.0 tm? -50.12 -59.87 3.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 0.0 111.43 -179.561 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.524 ' CG ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -58.13 -32.12 67.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.295 -179.487 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.456 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -53.35 -50.34 65.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.452 HD12 ' CD1' ' B' ' 17' ' ' TYR . 1.6 mm? -65.14 -30.77 71.73 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.013 0.435 . . . . 0.0 110.838 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.684 ' HA ' ' CD1' ' B' ' 40' ' ' LEU . 1.6 mt -60.98 -48.23 89.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.359 0.6 . . . . 0.0 109.613 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -83.04 -10.32 58.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.579 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 9.2 t-20 -92.99 -34.66 13.64 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.64 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -156.01 46.64 0.47 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.684 ' CD1' ' HA ' ' B' ' 36' ' ' ILE . 84.7 mt -150.88 87.72 1.43 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.5 p -131.99 27.12 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.021 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -122.8 -76.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.693 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . 0.419 ' CD1' HG13 ' B' ' 80' ' ' VAL . 2.4 m-85 -70.53 -64.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 179.699 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . 0.42 HD13 ' CE2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -61.99 -21.91 65.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.8 179.528 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 61.85 28.27 17.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 54.89 63.71 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.773 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.525 HG21 ' CG2' ' B' ' 53' ' ' VAL . 12.6 pt 39.47 92.86 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.717 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.85 -27.88 3.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.645 -179.544 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.488 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -164.28 -178.53 5.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.586 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.61 -33.96 58.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.092 0.473 . . . . 0.0 110.326 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.17 -42.11 76.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.081 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.488 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.2 m -60.66 -43.91 95.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.711 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.814 ' HA ' HG13 ' B' ' 56' ' ' VAL . 2.7 t -52.87 -68.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.717 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.466 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 3.5 t0 -43.54 -32.19 0.87 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.442 ' HB3' HG12 ' D' ' 10' ' ' ILE . 18.0 ttmt -84.34 -40.66 17.64 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.956 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.814 HG13 ' HA ' ' B' ' 53' ' ' VAL . 11.2 p -70.84 -35.25 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.452 ' N ' HG12 ' B' ' 56' ' ' VAL . 0.2 OUTLIER -77.25 -26.66 52.77 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.88 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 17.6 mt-10 -79.79 -38.34 33.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.0 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' THR . . . . . . . . . . . . . 42.3 m -57.66 -21.34 39.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.49 179.384 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.45 HD21 ' CD1' ' B' ' 76' ' ' PHE . 1.5 mt -92.14 -24.22 19.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.93 107.99 0.21 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -128.68 -45.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -156.24 41.1 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.758 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 7.68 54.52 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.76 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.41 27.26 16.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.812 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.83 23.73 11.49 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.741 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -141.63 177.51 8.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.352 179.843 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.634 ' O ' HD12 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -111.93 88.68 2.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.031 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.684 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -78.92 -173.02 3.33 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.745 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.543 ' HA ' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -72.12 -23.06 61.26 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.163 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.414 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 1.2 pt20 -69.81 -30.39 67.9 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.705 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.422 ' CG ' ' OD1' ' B' ' 69' ' ' ASP . 2.1 mt-10 -70.58 -38.3 74.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.543 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -77.38 -20.44 54.72 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.252 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.493 ' HE1' ' HA ' ' A' ' 78' ' ' ALA . 12.8 mmm -68.69 -42.68 77.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.014 0.435 . . . . 0.0 109.977 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.507 ' O ' ' HG2' ' B' ' 79' ' ' MET . . . -72.83 -26.15 61.38 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.675 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.772 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 45.2 t80 -64.06 -69.91 0.25 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.534 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.467 ' O ' ' HB ' ' B' ' 81' ' ' THR . 1.4 p -48.33 -29.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.248 0.547 . . . . 0.0 110.363 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.482 ' HA ' ' HE1' ' A' ' 74' ' ' MET . . . -84.66 -35.58 22.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.132 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.772 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 6.0 ptp -81.8 -44.5 16.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.051 0.453 . . . . 0.0 111.239 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.52 ' N ' ' HG3' ' B' ' 79' ' ' MET . 91.9 t -68.09 -40.83 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.28 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.635 ' HA ' ' HB2' ' B' ' 85' ' ' HIS . 6.4 t -63.71 -49.55 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.145 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.427 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 62.3 m -51.87 -39.3 58.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.036 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.442 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -65.98 -72.51 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.657 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.445 ' HA ' ' O ' ' D' ' 2' ' ' ARG . 0.0 OUTLIER -88.71 -55.97 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.635 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 7.1 t60 -43.64 -24.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 111.528 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.427 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.7 tm-20 -43.95 -63.22 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.696 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.84 -5.93 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.689 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.445 ' CZ ' ' CG2' ' D' ' 3' ' ' THR . 35.1 m-85 -96.15 -9.86 29.6 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.878 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.451 ' HB3' ' CG ' ' B' ' 85' ' ' HIS . 1.8 pp20? -47.41 148.12 1.44 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -179.27 -47.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.903 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.685 0.279 . . . . 0.0 111.405 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . 0.462 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 6.1 mtp180 -50.38 -71.4 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.841 0.353 . . . . 0.0 110.689 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' THR . . . . . 0.444 ' CG2' ' CZ ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -98.72 1.72 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.098 179.323 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.523 ' C ' ' CD1' ' C' ' 5' ' ' ILE . 0.0 OUTLIER -80.8 -2.16 46.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.438 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.564 ' O ' ' CD1' ' C' ' 7' ' ' TRP . 0.2 OUTLIER 33.79 37.59 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.372 0.606 . . . . 0.0 111.236 -179.3 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.506 ' HA ' ' O ' ' C' ' 12' ' ' SER . 28.8 t0 -61.28 87.74 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.897 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.564 ' CD1' ' O ' ' C' ' 5' ' ' ILE . 32.0 m0 -76.49 -44.19 36.43 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.586 ' O ' ' HA ' ' C' ' 12' ' ' SER . 1.9 m-80 170.21 -86.79 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.792 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.31 -49.97 4.5 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.596 HG21 ' CD2' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.42 -59.56 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.704 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.596 ' CD2' HG21 ' C' ' 10' ' ' ILE . 4.1 mm? -90.4 -11.82 39.36 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 9.2 p . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.537 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.671 0.272 . . . . 0.0 111.45 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 6.1 mtp180 -50.42 -71.47 0.06 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.827 0.346 . . . . 0.0 110.604 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' THR . . . . . 0.445 ' CG2' ' CZ ' ' B' ' 88' ' ' PHE . 0.2 OUTLIER -98.65 1.76 46.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 179.341 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.518 ' C ' ' CD1' ' D' ' 5' ' ' ILE . 0.0 OUTLIER -80.85 -2.15 46.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.392 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' D' ' 7' ' ' TRP . 0.2 OUTLIER 33.83 37.53 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.363 0.601 . . . . 0.0 111.219 -179.311 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.512 ' HA ' ' O ' ' D' ' 12' ' ' SER . 28.7 t0 -61.18 87.65 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.998 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.559 ' CD1' ' O ' ' D' ' 5' ' ' ILE . 31.7 m0 -76.36 -44.26 37.27 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.587 ' O ' ' HA ' ' D' ' 12' ' ' SER . 1.9 m-80 170.23 -86.95 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.714 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.18 -49.96 4.53 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.591 HG21 ' CD2' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.43 -59.55 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.721 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.591 ' CD2' HG21 ' D' ' 10' ' ' ILE . 4.1 mm? -90.4 -11.73 39.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.587 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 9.3 p . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.529 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.931 0.396 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.41 -38.23 68.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.143 0.497 . . . . 0.0 110.9 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.47 -44.69 65.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.965 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -61.34 -41.12 96.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mtpp -73.16 -51.45 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.411 ' HA ' ' CB ' ' B' ' 6' ' ' ALA . . . -57.72 -49.15 77.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.445 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.466 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.6 ttm -50.27 -65.04 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.03 -20.27 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.844 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.1 -43.59 91.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.342 0.592 . . . . 0.0 109.641 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.433 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 1.2 pp -69.31 -39.25 78.38 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.488 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.466 HG13 ' O ' ' A' ' 7' ' ' MET . 4.1 mt -65.73 -35.99 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.601 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -42.12 54.97 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 25.6 t -58.56 -46.64 89.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.426 178.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.505 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.09 -34.66 68.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.368 179.418 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.466 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -72.1 -16.34 62.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.017 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -45.06 16.44 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.948 0.404 . . . . 0.0 110.085 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.487 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 2.7 m-85 -83.49 -46.97 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.12 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 20.2 m -57.31 117.1 3.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 -179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.404 ' N ' ' HA ' ' A' ' 24' ' ' LYS . . . 139.49 -26.32 2.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.627 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -30.47 71.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.946 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -82.19 -70.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.48 -49.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.95 -35.23 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.364 . . . . 0.0 110.79 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' HA ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 58.73 41.42 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.699 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 2.2 t-160 -176.69 42.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.699 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 1.2 mtpt -164.89 152.08 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.834 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.66 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 1.3 mm? -134.51 133.59 40.52 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 121.009 0.433 . . . . 0.0 111.34 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.6 -169.91 1.86 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.421 -179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -55.27 -41.38 72.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.143 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -74.99 -42.39 57.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.58 -67.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.188 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -45.52 -59.74 2.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.071 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.429 ' HG2' ' CG1' ' A' ' 53' ' ' VAL . 38.7 mttt -41.28 -46.93 3.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.547 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.62 -55.51 31.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.595 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 1.3 mm? -49.44 -35.93 20.83 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.923 0.392 . . . . 0.0 111.537 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.497 ' O ' ' HB2' ' A' ' 40' ' ' LEU . 1.2 mt -55.18 -64.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.7 -12.67 61.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.601 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.446 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 8.8 t30 -88.92 -23.67 22.65 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.592 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 35' ' ' LEU . 0.1 OUTLIER -148.11 43.88 1.05 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.282 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HB2' ' O ' ' A' ' 36' ' ' ILE . 83.5 mt -156.9 69.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.696 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -97.96 35.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.032 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.62 -49.8 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.782 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.56 -48.86 2.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.616 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.39 53.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.517 179.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.36 -28.74 30.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.344 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.542 ' O ' ' O ' ' A' ' 47' ' ' ILE . 24.4 tt0 -163.44 50.45 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.542 ' O ' ' O ' ' A' ' 46' ' ' GLU . 0.0 OUTLIER 52.95 135.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.207 179.639 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.448 ' HB2' HG21 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -57.62 -22.78 47.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.961 -179.448 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 1.9 mt-10 167.29 175.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.026 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.23 -31.71 62.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.863 0.363 . . . . 0.0 110.75 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -73.44 -40.55 64.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.448 HG21 ' HB2' ' A' ' 48' ' ' LYS . 17.1 m -61.26 -42.33 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.567 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.539 ' CG2' HG23 ' A' ' 47' ' ' ILE . 0.2 OUTLIER -61.09 -50.07 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.926 -179.632 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -48.73 -35.31 13.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.092 0.472 . . . . 0.0 109.839 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.429 ' O ' ' OG1' ' A' ' 59' ' ' THR . 0.0 OUTLIER -81.31 -41.11 22.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.075 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.417 HG23 ' CD1' ' C' ' 10' ' ' ILE . 91.3 t -55.6 -53.37 37.41 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.079 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.762 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.35 -39.58 73.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.322 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -38.46 91.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.856 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.58 ' CG2' ' HB3' ' C' ' 8' ' ' ASN . 0.2 OUTLIER -64.8 -31.85 73.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.145 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.462 HD21 ' CG ' ' A' ' 76' ' ' PHE . 78.3 mt -80.43 -50.12 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.114 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -49.15 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.044 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.55 -50.15 6.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.677 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 176.72 45.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.11 -58.11 0.93 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.601 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.37 30.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.61 -17.37 35.42 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.347 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.66 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 2.1 pt-20 -114.68 -175.12 2.62 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.485 ' O ' ' N ' ' A' ' 27' ' ' LEU . 3.2 m -111.22 115.25 29.04 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.536 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 9.1 p-10 -104.7 -167.65 1.38 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.446 ' CE1' HG12 ' A' ' 11' ' ' ILE . 5.7 t80 -62.05 -26.16 68.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.93 -38.31 90.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.964 0.411 . . . . 0.0 110.697 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' HB3' ' HB3' ' A' ' 60' ' ' LEU . 3.0 mm-40 -76.8 -28.28 55.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.459 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.505 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.6 OUTLIER -51.99 -58.35 6.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 179.26 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 72.0 mmm -60.2 -45.87 91.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.134 179.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.11 -21.12 63.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.031 179.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.462 ' CG ' HD21 ' A' ' 60' ' ' LEU . 44.3 t80 -85.44 -74.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.298 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.523 ' O ' ' CG2' ' A' ' 81' ' ' THR . 0.9 OUTLIER -50.24 -26.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.411 -179.687 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.83 -53.79 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.1 mtm -62.16 -46.07 90.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.421 0.629 . . . . 0.0 110.267 -179.685 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.486 HG12 ' CZ2' ' C' ' 7' ' ' TRP . 89.4 t -56.54 -52.45 53.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.674 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.523 ' CG2' ' O ' ' A' ' 77' ' ' VAL . 14.8 p -72.97 -49.52 28.67 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.783 0.325 . . . . 0.0 111.452 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.477 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 68.9 m -47.87 -25.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.691 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' C' ' 1' ' ' THR . . . -83.29 -68.35 0.72 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 112.025 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -85.88 -49.95 7.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.621 -178.656 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.46 ' CD2' ' CD1' ' B' ' 11' ' ' ILE . 1.4 t60 -51.3 -19.38 1.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.128 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 82' ' ' THR . 18.3 tt0 -61.12 -64.75 0.85 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.569 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -121.91 -16.56 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 84' ' ' CYS . 8.7 m-85 -92.9 -17.68 23.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.553 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 62.8 -79.95 0.03 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.992 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.15 -73.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.877 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.846 0.355 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -55.31 -38.32 68.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.177 0.513 . . . . 0.0 110.992 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -52.32 -44.83 65.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.984 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -61.24 -41.24 96.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.578 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -73.16 -51.48 17.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.773 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.411 ' CB ' ' HA ' ' A' ' 6' ' ' ALA . . . -57.78 -49.11 77.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.466 ' O ' HG13 ' B' ' 11' ' ' ILE . 49.6 ttm -50.26 -65.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.968 0.413 . . . . 0.0 110.801 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.96 -20.41 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.753 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -59.01 -43.56 91.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.259 0.552 . . . . 0.0 109.669 179.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.432 ' HG ' ' N ' ' B' ' 11' ' ' ILE . 1.2 pp -69.32 -39.32 78.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.459 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.466 HG13 ' O ' ' B' ' 7' ' ' MET . 4.1 mt -65.74 -35.99 76.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.599 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -42.01 55.03 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 25.7 t -58.66 -46.6 90.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.413 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.511 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -72.16 -34.7 68.69 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.369 179.489 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.462 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -72.03 -16.32 62.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.094 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -45.2 16.3 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.922 0.391 . . . . 0.0 110.022 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.478 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 2.7 m-85 -83.46 -47.02 11.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 20.3 m -57.3 117.11 3.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 -179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 139.46 -26.34 2.68 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.636 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -30.56 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 111.012 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -82.17 -70.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.0 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.55 -49.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.92 -35.24 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.818 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 58.71 41.44 21.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.707 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 2.2 t-160 -176.69 42.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.707 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 1.2 mtpt -164.93 152.05 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.856 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.66 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 1.3 mm? -134.52 133.54 40.44 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 120.973 0.416 . . . . 0.0 111.344 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.52 -169.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.444 -179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -55.32 -41.41 72.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.012 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -74.95 -42.47 57.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -66.64 -67.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.15 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 6.0 tp -45.59 -59.58 2.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.133 -179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.423 ' O ' ' HB ' ' B' ' 36' ' ' ILE . 38.7 mttt -41.37 -46.97 3.47 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.516 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.6 -55.47 31.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.589 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.478 ' CD1' ' CD1' ' B' ' 17' ' ' TYR . 1.3 mm? -49.44 -35.99 21.03 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 120.933 0.397 . . . . 0.0 111.465 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.488 ' O ' ' HB2' ' B' ' 40' ' ' LEU . 1.2 mt -55.16 -64.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -68.66 -12.67 61.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.621 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.453 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 8.8 t30 -88.97 -23.65 22.6 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.594 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' B' ' 35' ' ' LEU . 0.1 OUTLIER -148.07 43.83 1.06 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.288 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' B' ' 36' ' ' ILE . 83.1 mt -156.9 69.54 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 0.0 110.692 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -97.93 35.73 1.67 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.048 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.6 -49.85 2.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.725 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.6 -48.87 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.584 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.0 mt -98.32 53.68 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.618 179.657 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.33 -28.79 30.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.26 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.537 ' O ' ' O ' ' B' ' 47' ' ' ILE . 24.4 tt0 -163.48 50.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.537 ' O ' ' O ' ' B' ' 46' ' ' GLU . 0.0 OUTLIER 52.98 135.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.269 179.658 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.466 ' HB2' HG21 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -57.56 -22.93 47.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 111.003 -179.482 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.468 ' O ' ' CG2' ' B' ' 53' ' ' VAL . 1.9 mt-10 167.46 175.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.921 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.23 -31.66 62.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.834 0.349 . . . . 0.0 110.852 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -73.44 -40.65 64.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.466 HG21 ' HB2' ' B' ' 48' ' ' LYS . 17.0 m -61.24 -42.24 92.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.628 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.537 ' CG2' HG23 ' B' ' 47' ' ' ILE . 0.2 OUTLIER -61.05 -50.06 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.027 -179.747 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -48.76 -35.25 13.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.144 0.497 . . . . 0.0 109.866 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.424 ' O ' ' OG1' ' B' ' 59' ' ' THR . 0.0 OUTLIER -81.41 -41.01 22.54 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.061 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.422 HG23 ' CD1' ' D' ' 10' ' ' ILE . 91.2 t -55.7 -53.24 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.78 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -56.55 -39.5 73.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -38.44 91.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.934 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.592 ' CG2' ' HB3' ' D' ' 8' ' ' ASN . 0.2 OUTLIER -64.76 -31.8 73.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.195 179.166 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.452 HD21 ' CG ' ' B' ' 76' ' ' PHE . 78.4 mt -80.49 -50.06 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.085 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -49.19 95.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.025 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.66 -50.16 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 176.78 45.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.09 -58.21 0.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.531 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.38 30.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -17.28 35.64 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.301 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.66 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 2.1 pt-20 -114.74 -175.24 2.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.488 ' O ' ' N ' ' B' ' 27' ' ' LEU . 3.2 m -111.13 115.3 29.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.538 ' HB3' ' HA ' ' B' ' 26' ' ' LYS . 9.1 p-10 -104.73 -167.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.449 ' CE1' HG12 ' B' ' 11' ' ' ILE . 5.7 t80 -62.05 -26.2 68.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.92 -38.32 90.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.709 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.44 ' HB3' ' HB3' ' B' ' 60' ' ' LEU . 3.1 mm-40 -76.85 -28.23 55.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.472 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.511 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.6 OUTLIER -51.98 -58.35 6.77 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.306 179.229 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 71.9 mmm -60.17 -45.94 91.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.075 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.13 -21.08 63.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.049 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.452 ' CG ' HD21 ' B' ' 60' ' ' LEU . 44.2 t80 -85.38 -74.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.318 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.517 ' O ' ' CG2' ' B' ' 81' ' ' THR . 0.9 OUTLIER -50.2 -26.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.413 -179.704 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.85 -53.77 5.36 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.2 mtm -62.06 -46.12 90.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.41 0.624 . . . . 0.0 110.284 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.492 HG12 ' CZ2' ' D' ' 7' ' ' TRP . 89.2 t -56.57 -52.44 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.645 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.517 ' CG2' ' O ' ' B' ' 77' ' ' VAL . 15.0 p -73.01 -49.47 28.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 111.445 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.478 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 69.2 m -47.79 -25.96 1.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.697 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.459 ' HA ' ' O ' ' D' ' 1' ' ' THR . . . -83.29 -68.35 0.72 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -85.78 -50.0 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.654 -178.761 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.454 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.4 t60 -51.32 -19.35 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.06 0.457 . . . . 0.0 110.1 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.478 ' HB2' ' O ' ' B' ' 82' ' ' THR . 18.3 tt0 -61.15 -64.78 0.84 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.522 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -121.97 -16.41 7.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.007 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' B' ' 84' ' ' CYS . 8.7 m-85 -93.0 -17.7 23.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 62.81 -79.87 0.03 OUTLIER 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.16 -73.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.876 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' THR . . . . . 0.47 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.539 0.209 . . . . 0.0 111.338 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -100.2 -73.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.711 -0.396 . . . . 0.0 112.013 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 7.2 t -101.31 1.82 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.638 ' O ' HG13 ' C' ' 5' ' ' ILE . 8.9 tttt -83.72 -65.48 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.262 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.638 HG13 ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 141.77 -11.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.867 1.267 . . . . 0.0 110.345 179.262 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.447 ' N ' HD11 ' C' ' 5' ' ' ILE . 40.0 t0 64.32 -4.41 0.41 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.648 ' O ' ' HB2' ' C' ' 8' ' ' ASN . 11.6 m95 -48.85 -69.37 0.12 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.646 0.657 . . . . 0.0 109.9 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.648 ' HB2' ' O ' ' C' ' 7' ' ' TRP . 43.8 t-20 146.4 -97.86 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.489 0.715 . . . . 0.0 111.936 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.2 -36.33 10.48 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' HE3' ' C' ' 7' ' ' TRP . 1.7 tp -52.82 -60.79 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.5 0.191 . . . . 0.0 111.242 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.421 HD12 ' CD1' ' C' ' 7' ' ' TRP . 16.7 mt -93.13 -25.22 17.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.215 0.531 . . . . 0.0 109.902 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.637 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.281 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' THR . . . . . 0.459 ' O ' ' HA ' ' B' ' 83' ' ' ALA . 0.9 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.549 0.214 . . . . 0.0 111.403 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -100.27 -73.4 0.64 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.698 -0.401 . . . . 0.0 112.024 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 7.3 t -101.22 1.74 39.25 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.632 ' O ' HG13 ' D' ' 5' ' ' ILE . 8.8 tttt -83.74 -65.53 1.0 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.268 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.632 HG13 ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 141.79 -11.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.9 1.28 . . . . 0.0 110.332 179.174 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.437 ' N ' HD11 ' D' ' 5' ' ' ILE . 40.2 t0 64.17 -4.36 0.4 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.65 ' O ' ' HB2' ' D' ' 8' ' ' ASN . 11.6 m95 -48.89 -69.38 0.12 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.697 0.68 . . . . 0.0 109.939 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.652 ' O ' ' HA ' ' D' ' 12' ' ' SER . 44.0 t-20 146.47 -97.71 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.548 0.739 . . . . 0.0 111.94 177.522 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -36.27 10.45 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.448 ' CG2' ' HE3' ' D' ' 7' ' ' TRP . 1.7 tp -52.78 -60.84 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.514 0.197 . . . . 0.0 111.233 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.424 HD12 ' CD1' ' D' ' 7' ' ' TRP . 16.8 mt -93.08 -25.38 17.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.157 0.504 . . . . 0.0 109.813 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.652 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.297 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.752 0.31 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -58.65 -23.71 59.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.14 -62.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.87 -41.03 97.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.13 -61.59 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.82 -36.01 69.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.397 -179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.534 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.0 ttt -58.93 -55.36 36.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.758 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.655 ' HA ' HG13 ' A' ' 11' ' ' ILE . 21.8 t -73.32 -28.55 25.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.884 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.59 -42.78 71.51 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.445 0.64 . . . . 0.0 109.801 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.94 -59.72 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.116 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -47.9 -37.11 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.69 179.125 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.77 -42.83 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.281 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 6.7 t -63.65 -47.02 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.863 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.566 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -76.61 -24.57 53.41 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.703 0.287 . . . . 0.0 111.086 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 18.5 t-80 -81.38 -18.02 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.94 -43.89 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.211 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.499 ' CD1' ' CD1' ' A' ' 35' ' ' LEU . 3.0 m-85 -83.55 -58.42 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.3 114.26 2.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.935 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.59 -44.2 1.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -43.59 92.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 111.033 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -146.25 80.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.83 -156.81 28.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.57 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.0 -7.73 59.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.576 0.227 . . . . 0.0 111.468 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt 69.84 49.45 0.52 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.039 0.447 . . . . 0.0 110.752 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -171.37 -34.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.687 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.73 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.33 163.44 13.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.343 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 68' ' ' CYS . 2.3 mm? -131.96 139.72 48.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.133 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.82 -177.49 3.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.004 0.431 . . . . 0.0 111.556 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.61 -26.4 13.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.019 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -83.12 -43.87 15.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.674 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.43 -64.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.439 -179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.413 ' N ' ' HB3' ' A' ' 27' ' ' LEU . 3.4 tm? -44.05 -56.89 3.69 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.783 0.325 . . . . 0.0 111.424 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.53 ' HD3' HG11 ' A' ' 53' ' ' VAL . 73.9 mttt -59.32 -45.81 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.819 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.428 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 0.5 OUTLIER -43.03 -45.92 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.285 -179.67 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.499 ' CD1' ' CD1' ' A' ' 17' ' ' TYR . 2.2 mm? -66.33 -38.57 87.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.235 0.54 . . . . 0.0 110.262 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.524 ' O ' ' HB3' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -54.69 -56.7 9.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.943 178.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -69.94 -22.57 63.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.701 177.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.498 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 64.7 t-20 -67.54 -45.59 75.27 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.802 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.71 61.89 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.524 ' HB3' ' O ' ' A' ' 36' ' ' ILE . 1.0 OUTLIER -79.69 -15.15 58.09 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.579 179.474 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.427 ' N ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER 165.26 -62.4 0.0 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.9 0.381 . . . . 0.0 110.484 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -138.63 -46.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -160.19 -67.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.337 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.67 57.0 1.36 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.065 -179.602 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.439 ' N ' HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -70.59 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.089 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -63.98 -14.11 51.41 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.481 HG22 ' CG2' ' A' ' 53' ' ' VAL . 10.2 pt -122.37 77.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.099 0.476 . . . . 0.0 110.663 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -23.08 14.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.267 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.454 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -160.55 -174.64 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -76.73 -44.3 33.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.041 0.448 . . . . 0.0 110.508 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.44 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.266 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.454 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.0 m -61.1 -44.42 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.967 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.817 ' HA ' HG11 ' A' ' 56' ' ' VAL . 3.8 t -48.52 -54.59 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-O 120.93 0.395 . . . . 0.0 111.246 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -54.8 -32.51 60.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.057 0.456 . . . . 0.0 109.972 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -77.28 -42.88 35.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.362 179.302 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.817 HG11 ' HA ' ' A' ' 53' ' ' VAL . 4.2 p -65.67 -49.25 78.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.431 ' HA ' HD13 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -60.66 -24.51 65.63 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.27 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.418 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 11.7 mt-10 -87.25 -35.24 18.61 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.601 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' LYS . 85.5 m -63.59 -28.66 70.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.748 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.431 HD13 ' HA ' ' A' ' 57' ' ' MET . 1.0 OUTLIER -86.88 -27.77 23.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.848 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.22 96.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -123.94 -43.68 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.738 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -139.73 40.22 2.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.728 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.84 6.68 25.78 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.827 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 58.49 23.69 11.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.778 0.323 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.38 7.54 26.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.829 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.416 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 3.0 mt-10 -136.24 -177.37 4.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.465 ' HA ' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -112.07 99.25 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.072 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.73 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -95.31 -174.65 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.54 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 16.5 t80 -59.12 -19.87 48.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.214 0.531 . . . . 0.0 110.469 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -66.52 -40.04 88.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.372 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.465 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 16.4 mm-40 -73.41 -29.43 62.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.151 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.4 OUTLIER -52.65 -50.22 63.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.829 178.53 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.43 ' HB3' ' CB ' ' B' ' 78' ' ' ALA . 17.6 mmt -59.74 -57.19 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.424 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.37 68.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.431 ' CD2' HD11 ' A' ' 60' ' ' LEU . 3.6 t80 -60.34 -74.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.545 ' O ' ' HB ' ' A' ' 81' ' ' THR . 2.4 m -58.56 -28.58 36.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.332 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.44 ' CB ' ' HB3' ' B' ' 74' ' ' MET . . . -76.24 -47.77 22.69 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.6 mtm -70.35 -59.03 3.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.175 0.512 . . . . 0.0 110.754 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.43 HG23 ' CZ2' ' C' ' 7' ' ' TRP . 96.1 t -51.46 -35.2 16.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.286 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.545 ' HB ' ' O ' ' A' ' 77' ' ' VAL . 2.0 m -71.22 -60.23 2.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.346 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.57 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 34.0 m -43.16 -26.52 0.17 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.539 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.663 ' CB ' ' HA ' ' C' ' 5' ' ' ILE . . . -83.57 -70.89 0.53 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.591 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.407 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -88.86 -56.05 3.45 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.669 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.446 ' HB3' HG22 ' A' ' 81' ' ' THR . 1.7 t-160 -53.18 -19.77 3.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.327 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.57 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.4 tm-20 -52.96 -64.28 0.87 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.084 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -118.87 -27.63 5.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.554 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.407 ' N ' ' O ' ' A' ' 84' ' ' CYS . 8.1 m-85 -79.97 -19.86 46.9 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.792 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.4 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 68.49 -66.28 0.24 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.742 0.306 . . . . 0.0 111.107 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -130.67 -59.5 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.95 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.95 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.84 0.352 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.68 -23.7 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.09 -62.59 1.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.87 -40.93 97.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.13 -61.65 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.83 -35.89 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.399 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.544 ' O ' HG13 ' B' ' 11' ' ' ILE . 2.0 ttt -59.11 -55.28 37.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.79 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . 0.642 ' HA ' HG13 ' B' ' 11' ' ' ILE . 21.8 t -73.36 -28.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.904 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.61 -42.84 71.62 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.457 0.646 . . . . 0.0 109.803 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.89 -59.63 3.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.144 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.642 HG13 ' HA ' ' B' ' 8' ' ' VAL . 0.4 OUTLIER -48.11 -36.99 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.667 179.244 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -42.83 72.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.285 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 6.8 t -63.7 -46.91 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.83 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.575 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -76.71 -24.51 53.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 111.151 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.422 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 18.5 t-80 -81.33 -18.18 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.068 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.84 -43.97 14.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.858 0.361 . . . . 0.0 110.205 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.495 ' CD1' ' CD1' ' B' ' 35' ' ' LEU . 3.0 m-85 -83.42 -58.55 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.174 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.29 114.3 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.901 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.53 -44.22 1.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -43.55 93.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.805 0.336 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -146.29 80.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.76 -156.76 28.65 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.65 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.06 -7.7 59.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.501 0.191 . . . . 0.0 111.392 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt 69.84 49.49 0.52 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.051 0.453 . . . . 0.0 110.746 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 8.8 t-160 -171.47 -34.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.734 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.742 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.39 163.37 14.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.373 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.419 HD21 ' O ' ' B' ' 68' ' ' CYS . 2.3 mm? -131.91 139.74 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.142 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.86 -177.43 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.911 0.386 . . . . 0.0 111.599 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.72 -26.4 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -83.11 -43.83 15.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -81.52 -64.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.408 -179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.411 ' N ' ' HB3' ' B' ' 27' ' ' LEU . 3.4 tm? -44.04 -56.86 3.7 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.722 0.296 . . . . 0.0 111.451 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.542 ' HD3' HG11 ' B' ' 53' ' ' VAL . 74.0 mttt -59.32 -45.73 90.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.883 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.426 ' HB3' ' CZ ' ' B' ' 17' ' ' TYR . 0.5 OUTLIER -43.09 -45.97 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.235 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.514 ' HA ' ' HB3' ' B' ' 38' ' ' ASN . 2.2 mm? -66.22 -38.6 88.31 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.262 0.553 . . . . 0.0 110.298 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.524 ' O ' ' HB3' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -54.66 -56.69 9.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.311 -0.858 . . . . 0.0 108.98 178.92 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.5 p30 -69.93 -22.67 63.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.695 177.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.514 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 64.7 t-20 -67.37 -45.72 75.44 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.807 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.68 61.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.524 ' HB3' ' O ' ' B' ' 36' ' ' ILE . 1.0 OUTLIER -79.63 -15.16 58.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.532 179.478 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' SER . . . . . 0.421 ' N ' HD23 ' B' ' 40' ' ' LEU . 1.0 OUTLIER 165.24 -62.29 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.897 0.379 . . . . 0.0 110.487 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -138.56 -46.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -160.24 -67.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.341 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -143.6 56.96 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 111.139 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . 0.451 ' N ' HD11 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -70.52 -67.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -64.06 -14.16 52.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.861 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.48 HG22 ' CG2' ' B' ' 53' ' ' VAL . 10.3 pt -122.32 77.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.104 0.478 . . . . 0.0 110.733 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -23.08 14.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.263 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.461 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -160.51 -174.61 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.532 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -76.66 -44.4 34.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 0.0 110.513 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -42.49 98.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.346 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.0 m -61.11 -44.39 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.994 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.831 ' HA ' HG11 ' B' ' 56' ' ' VAL . 3.8 t -48.48 -54.62 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.426 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 1.0 OUTLIER -54.81 -32.54 60.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.077 0.465 . . . . 0.0 109.948 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -77.29 -42.81 35.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.409 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.831 HG11 ' HA ' ' B' ' 53' ' ' VAL . 4.2 p -65.65 -49.27 78.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.436 ' HA ' HD13 ' B' ' 60' ' ' LEU . 0.5 OUTLIER -60.59 -24.56 65.55 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.187 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 11.6 mt-10 -87.28 -35.14 18.63 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.594 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.475 ' N ' ' O ' ' B' ' 55' ' ' LYS . 85.9 m -63.69 -28.59 70.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.799 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 57' ' ' MET . 1.0 OUTLIER -86.96 -27.67 23.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.875 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.2 96.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -123.97 -43.64 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.732 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -139.65 40.16 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.74 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.95 6.87 25.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.693 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 58.47 23.56 10.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.4 7.59 26.1 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.83 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.405 ' HB3' ' HB3' ' B' ' 26' ' ' LYS . 3.0 mt-10 -136.21 -177.43 4.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.44 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 0.1 OUTLIER -111.94 99.27 7.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.86 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.742 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.8 OUTLIER -95.28 -174.68 3.28 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 178.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.544 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 16.4 t80 -59.08 -19.88 48.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.142 0.496 . . . . 0.0 110.436 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 8.9 mm100 -66.43 -40.19 89.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.365 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 16.4 mm-40 -73.4 -29.41 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.1 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.575 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.4 OUTLIER -52.65 -50.28 63.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.777 178.592 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.44 ' HB3' ' CB ' ' A' ' 78' ' ' ALA . 17.6 mmt -59.72 -57.1 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.392 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.4 68.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.425 ' CD2' HD11 ' B' ' 60' ' ' LEU . 3.7 t80 -60.22 -74.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.639 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.543 ' O ' ' HB ' ' B' ' 81' ' ' THR . 2.4 m -58.52 -28.6 36.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.34 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.43 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -76.33 -47.57 23.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 31.5 mtm -70.43 -58.98 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.2 0.524 . . . . 0.0 110.776 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.441 HG23 ' CZ2' ' D' ' 7' ' ' TRP . 95.3 t -51.51 -35.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.267 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.543 ' HB ' ' O ' ' B' ' 77' ' ' VAL . 1.9 m -71.35 -60.19 2.36 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.568 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 34.5 m -43.11 -26.51 0.16 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.584 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.66 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -83.61 -70.85 0.53 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.595 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' B' ' 88' ' ' PHE . 0.5 OUTLIER -88.88 -56.13 3.41 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.696 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.453 ' HB3' HG22 ' B' ' 81' ' ' THR . 1.7 t-160 -53.21 -19.72 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.12 0.486 . . . . 0.0 110.314 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.568 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.4 tm-20 -53.01 -64.25 0.88 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.126 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -118.86 -27.61 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.576 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' B' ' 84' ' ' CYS . 8.1 m-85 -80.09 -19.81 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.735 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.406 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 0.0 OUTLIER 68.46 -66.23 0.24 Allowed 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 120.77 0.319 . . . . 0.0 111.152 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -130.73 -59.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.937 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' THR . . . . . 0.503 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.675 0.274 . . . . 0.0 111.256 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -101.09 -74.78 0.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.402 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 23.5 p -102.87 -10.83 18.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.724 ' O ' ' CG2' ' C' ' 5' ' ' ILE . 0.0 OUTLIER -101.45 -63.81 1.11 Allowed 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -177.881 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.724 ' CG2' ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 114.1 34.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.598 1.559 . . . . 0.0 110.489 -179.077 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.414 ' N ' ' HD3' ' C' ' 4' ' ' LYS . 4.5 p-10 -69.25 70.6 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.026 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.544 ' HE3' HG23 ' C' ' 10' ' ' ILE . 20.3 m0 -52.19 -53.64 40.7 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.052 0.453 . . . . 0.0 109.837 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.444 ' O ' ' HA ' ' C' ' 12' ' ' SER . 0.3 OUTLIER -178.4 -92.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.678 179.019 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -97.85 -39.37 9.04 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.544 HG23 ' HE3' ' C' ' 7' ' ' TRP . 2.0 tt -56.13 -60.85 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.706 ' HG ' HG12 ' C' ' 5' ' ' ILE . 4.5 mm? -92.95 -15.94 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.632 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.444 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 11.6 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.313 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' B' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.642 0.258 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -101.05 -74.89 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.382 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 23.6 p -102.81 -10.83 18.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.728 ' O ' ' CG2' ' D' ' 5' ' ' ILE . 0.0 OUTLIER -101.47 -63.79 1.11 Allowed 'General case' 0 C--O 1.225 -0.197 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -177.832 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.728 ' CG2' ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 114.12 34.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.579 1.552 . . . . 0.0 110.442 -179.109 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.408 ' N ' ' HD3' ' D' ' 4' ' ' LYS . 4.4 p-10 -69.33 70.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.045 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.542 ' HE3' HG23 ' D' ' 10' ' ' ILE . 20.4 m0 -52.19 -53.62 41.05 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.064 0.459 . . . . 0.0 109.834 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.456 ' HB3' ' H ' ' D' ' 9' ' ' LYS . 0.3 OUTLIER -178.4 -92.08 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.635 179.006 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . 0.456 ' H ' ' HB3' ' D' ' 8' ' ' ASN . 0.0 OUTLIER -97.89 -39.43 9.0 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.81 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.542 HG23 ' HE3' ' D' ' 7' ' ' TRP . 2.0 tt -56.05 -60.88 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.695 ' HG ' HG12 ' D' ' 5' ' ' ILE . 4.5 mm? -93.01 -15.82 25.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.446 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 11.4 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.419 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.735 0.302 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -59.49 -23.67 62.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.91 -25.27 61.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -79.56 -47.56 15.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.57 -46.8 58.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.081 -179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.67 -35.75 77.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.934 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.419 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.0 OUTLIER -61.28 -63.4 1.3 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.504 179.632 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.36 -23.62 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.393 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.7 -40.85 84.82 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.426 0.631 . . . . 0.0 109.619 179.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.441 ' HB3' ' CZ ' ' A' ' 73' ' ' PHE . 3.3 mt -67.78 -44.91 76.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.826 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.45 HG12 ' CE1' ' A' ' 70' ' ' PHE . 5.1 mt -58.09 -42.87 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.917 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.07 -42.82 69.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.414 ' CG1' ' HG ' ' A' ' 35' ' ' LEU . 15.4 t -57.64 -56.57 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.416 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.577 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -69.91 -27.91 65.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.442 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 26.1 t60 -75.14 -18.82 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -47.14 11.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.3 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.483 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.6 m-85 -83.58 -62.18 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.71 122.3 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.43 35.13 1.8 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.09 -32.22 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -90.03 -69.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.53 -39.09 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.539 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -60.31 -52.69 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 13.7 tmtt? 57.95 164.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' O ' ' HB3' ' A' ' 69' ' ' ASP . 10.7 t-160 84.73 -35.51 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.707 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.813 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.14 158.79 17.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.696 0.284 . . . . 0.0 110.263 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.461 ' O ' ' HG2' ' A' ' 67' ' ' GLU . 4.5 mp -135.42 137.84 42.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 111.053 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -92.03 174.9 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.44 -179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 1.1 mptt -49.19 -29.17 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.097 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 1.1 p -84.07 -28.16 27.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.767 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.12 -69.46 0.59 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.442 HD22 ' CB ' ' A' ' 57' ' ' MET . 0.9 OUTLIER -54.02 -45.92 71.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.35 . . . . 0.0 111.307 -179.213 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' CB ' ' O ' ' A' ' 29' ' ' LYS . 12.8 ttmt -62.69 -40.43 97.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -49.02 -46.2 43.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.75 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.483 HD11 ' CD1' ' A' ' 17' ' ' TYR . 3.4 mm? -67.44 -42.11 83.65 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.236 0.541 . . . . 0.0 110.972 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.599 ' HA ' ' CD1' ' A' ' 40' ' ' LEU . 1.9 mt -58.37 -36.38 58.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.806 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.65 -17.47 25.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.641 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' GLU . 57.7 t30 -92.66 -20.19 21.09 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.284 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' LEU . 81.5 mm-40 -134.93 -32.13 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.599 ' CD1' ' HA ' ' A' ' 36' ' ' ILE . 2.0 mt -100.24 32.11 3.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.893 0.378 . . . . 0.0 111.07 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -46.25 62.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -17.75 57.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.386 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.33 104.62 5.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.961 0.41 . . . . 0.0 111.189 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.68 120.47 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.6 179.744 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.06 -45.64 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.004 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.429 ' O ' ' CG1' ' A' ' 47' ' ' ILE . 39.5 mt-10 -91.41 2.19 56.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.577 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.529 HG23 HG23 ' A' ' 53' ' ' VAL . 0.4 OUTLIER -179.6 147.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.366 . . . . 0.0 110.362 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HG2' HG22 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -130.43 -86.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.19 146.63 33.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 110.926 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.447 ' HA ' HG21 ' A' ' 53' ' ' VAL . 63.5 mt-30 -51.99 -38.21 55.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.114 0.483 . . . . 0.0 110.811 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.49 -42.57 96.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.411 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.593 HG23 ' N ' ' A' ' 53' ' ' VAL . 9.5 m -70.6 -37.69 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.374 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.778 ' HA ' ' CG1' ' A' ' 56' ' ' VAL . 2.4 t -57.8 -28.99 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 110.985 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . 0.433 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -72.75 -50.54 23.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.632 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' THR . 10.3 ttmt -64.32 -45.43 87.93 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.365 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.778 ' CG1' ' HA ' ' A' ' 53' ' ' VAL . 10.4 p -63.15 -51.96 64.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.442 ' CB ' HD22 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -61.47 -25.62 67.36 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.151 0.501 . . . . 0.0 109.675 178.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 22.6 mt-10 -86.6 -26.25 24.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.437 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.522 HG21 ' H ' ' C' ' 10' ' ' ILE . 54.2 m -75.71 -24.32 56.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.951 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.455 ' CD1' ' CE2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -95.93 -16.96 21.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.294 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -46.77 101.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.762 0.315 . . . . 0.0 111.258 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -107.89 -54.2 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -141.07 37.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.21 7.28 26.93 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.69 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 58.62 31.92 21.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.45 28.44 10.52 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.461 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.5 mt-10 -137.65 172.43 12.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.876 0.37 . . . . 0.0 110.485 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.448 ' O ' HD11 ' A' ' 27' ' ' LEU . 1.7 t -111.63 86.81 2.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.0 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.813 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -76.15 -173.95 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.577 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . 29.7 t80 -66.97 -33.09 74.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.415 ' CG ' ' OD2' ' A' ' 69' ' ' ASP . 8.0 pt20 -76.23 -23.48 54.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.375 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -84.33 -37.28 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.524 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -82.84 -22.95 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.477 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.403 ' HE1' ' HA ' ' A' ' 74' ' ' MET . 0.0 OUTLIER -72.13 -47.88 47.78 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.789 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -67.87 -23.68 65.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.51 ' O ' ' HG3' ' A' ' 79' ' ' MET . 1.0 OUTLIER -63.95 -72.12 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.758 179.422 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . 0.434 ' O ' ' HB ' ' A' ' 81' ' ' THR . 2.6 p -44.93 -32.27 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-O 121.224 0.535 . . . . 0.0 110.76 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' B' ' 78' ' ' ALA . . . -85.31 -40.04 17.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.403 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.51 ' HG3' ' O ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -72.14 -44.09 63.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.477 HG11 ' CZ2' ' C' ' 7' ' ' TRP . 59.4 t -68.57 -38.27 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.411 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.55 HG22 ' HB3' ' A' ' 85' ' ' HIS . 8.5 m -70.36 -59.79 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.034 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 68.8 p -50.11 -24.95 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.003 -179.257 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.424 ' HB1' ' HB2' ' C' ' 6' ' ' ASP . . . -75.81 -72.68 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.458 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 5.1 p -87.99 -54.08 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.55 ' HB3' HG22 ' A' ' 81' ' ' THR . 0.9 OUTLIER -44.7 -24.61 0.21 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 110.796 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.402 ' HG2' ' CE1' ' B' ' 25' ' ' HIS . 1.2 tm-20 -50.64 -63.69 1.04 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.38 -21.23 10.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.458 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 9.3 m-85 -80.16 -11.87 59.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.222 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.471 ' HB3' ' O ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -48.79 -53.18 20.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.954 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 71.42 -55.57 0.65 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.808 0.337 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -59.57 -23.67 63.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.021 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -71.9 -25.2 61.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.024 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -79.64 -47.57 15.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.48 -46.83 58.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.067 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -60.66 -35.85 77.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.427 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -61.26 -63.43 1.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.466 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.34 -23.67 28.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.311 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.75 84.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.361 0.601 . . . . 0.0 109.551 179.2 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.433 ' HB3' ' CZ ' ' B' ' 73' ' ' PHE . 3.3 mt -67.91 -44.77 76.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.816 178.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.446 HG12 ' CE1' ' B' ' 70' ' ' PHE . 5.2 mt -58.23 -42.79 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.891 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -54.09 -42.97 69.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.416 ' CG1' ' HG ' ' B' ' 35' ' ' LEU . 15.1 t -57.42 -56.63 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.532 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.581 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -69.88 -27.89 65.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.79 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.44 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 26.4 t60 -75.22 -18.78 60.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.2 -47.06 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.327 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.482 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.51 -62.42 1.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.48 122.28 10.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.24 35.54 1.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.5 -32.04 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.28 -69.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.4 -39.2 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -60.25 -52.75 63.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 13.7 tmtt? 58.09 164.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.451 ' O ' ' HB3' ' B' ' 69' ' ' ASP . 10.7 t-160 84.82 -35.59 0.05 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.678 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.813 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.08 158.84 17.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.646 0.26 . . . . 0.0 110.301 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.454 ' O ' ' HG2' ' B' ' 67' ' ' GLU . 4.5 mp -135.49 137.79 42.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.965 0.412 . . . . 0.0 111.12 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 9.6 pttm -91.99 174.88 7.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.401 -179.403 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' B' ' 33' ' ' LYS . 1.1 mptt -49.06 -29.22 4.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.196 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.412 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 1.1 p -84.1 -28.1 27.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.794 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.19 -69.36 0.6 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.453 ' CD2' ' HB2' ' B' ' 68' ' ' CYS . 0.9 OUTLIER -54.1 -45.91 71.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.368 . . . . 0.0 111.297 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.432 ' CB ' ' O ' ' B' ' 29' ' ' LYS . 12.8 ttmt -62.78 -40.38 97.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.016 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -48.86 -46.34 42.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.696 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.482 HD11 ' CD1' ' B' ' 17' ' ' TYR . 3.4 mm? -67.28 -42.31 84.01 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.38 0.609 . . . . 0.0 110.913 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.602 ' HA ' ' CD1' ' B' ' 40' ' ' LEU . 1.9 mt -58.36 -36.4 58.26 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.798 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.48 -17.49 25.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.737 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' B' ' 34' ' ' GLU . 57.8 t30 -92.68 -20.19 21.07 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.275 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' B' ' 35' ' ' LEU . 81.4 mm-40 -134.95 -32.23 0.98 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.602 ' CD1' ' HA ' ' B' ' 36' ' ' ILE . 2.0 mt -100.17 32.08 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.835 0.35 . . . . 0.0 111.126 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -46.25 62.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.52 -17.89 57.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.38 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.28 104.55 5.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.901 0.382 . . . . 0.0 111.205 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -101.62 120.46 40.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.652 179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.0 -45.61 0.79 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.008 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.433 ' O ' ' CG1' ' B' ' 47' ' ' ILE . 39.5 mt-10 -91.5 2.31 56.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.608 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.532 HG23 HG23 ' B' ' 53' ' ' VAL . 0.4 OUTLIER -179.7 147.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.787 0.327 . . . . 0.0 110.394 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.441 ' HG2' HG22 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -130.46 -86.14 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.096 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.24 146.69 32.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.8 0.333 . . . . 0.0 110.842 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.432 ' HA ' HG21 ' B' ' 53' ' ' VAL . 63.3 mt-30 -52.06 -38.11 56.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.764 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.66 -42.46 97.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.363 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.588 HG23 ' N ' ' B' ' 53' ' ' VAL . 9.8 m -70.66 -37.77 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.285 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.797 ' HA ' ' CG1' ' B' ' 56' ' ' VAL . 2.4 t -57.63 -29.13 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.761 0.315 . . . . 0.0 111.036 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . 0.428 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -72.58 -50.59 24.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.613 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 59' ' ' THR . 10.3 ttmt -64.32 -45.48 87.71 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.322 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.797 ' CG1' ' HA ' ' B' ' 53' ' ' VAL . 10.6 p -63.09 -52.07 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.439 ' CB ' HD22 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -61.41 -25.58 67.29 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.137 0.494 . . . . 0.0 109.707 178.902 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.428 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 22.6 mt-10 -86.65 -26.25 24.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.365 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.522 HG21 ' H ' ' D' ' 10' ' ' ILE . 54.0 m -75.64 -24.47 56.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.455 ' CD1' ' CE2' ' B' ' 76' ' ' PHE . 0.9 OUTLIER -95.9 -16.86 21.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.419 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -46.81 101.12 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.217 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -107.95 -54.01 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -141.19 37.74 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.27 7.3 26.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.696 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t70 58.6 31.82 21.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.54 28.38 10.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' B' ' 27' ' ' LEU . 2.5 mt-10 -137.63 172.41 13.0 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.893 0.378 . . . . 0.0 110.477 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.453 ' HB2' ' CD2' ' B' ' 32' ' ' LEU . 1.7 t -111.63 86.85 2.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.813 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -76.17 -174.06 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.448 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.581 ' HB2' ' CD2' ' B' ' 14' ' ' PHE . 29.4 t80 -66.89 -33.06 74.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.937 0.399 . . . . 0.0 110.807 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.411 ' CG ' ' OD2' ' B' ' 69' ' ' ASP . 8.0 pt20 -76.3 -23.37 54.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.396 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -84.46 -37.18 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 111.094 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.519 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -82.88 -22.81 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.531 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.421 ' HE1' ' HA ' ' B' ' 74' ' ' MET . 0.0 OUTLIER -72.19 -47.98 46.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.835 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -67.77 -23.91 65.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.504 ' O ' ' HG3' ' B' ' 79' ' ' MET . 1.0 OUTLIER -63.84 -72.04 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.835 179.398 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . 0.428 ' O ' ' HB ' ' B' ' 81' ' ' THR . 2.5 p -45.03 -32.23 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 121.319 0.58 . . . . 0.0 110.767 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.428 ' CB ' ' CB ' ' A' ' 78' ' ' ALA . . . -85.36 -39.88 17.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.386 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.512 ' N ' ' O ' ' B' ' 75' ' ' ALA . 0.0 OUTLIER -72.25 -44.16 63.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 111.002 -179.153 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.492 HG11 ' CZ2' ' D' ' 7' ' ' TRP . 60.3 t -68.47 -38.31 79.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.432 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.538 HG22 ' HB3' ' B' ' 85' ' ' HIS . 8.5 m -70.28 -59.79 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.022 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.403 HG23 ' HB2' ' A' ' 74' ' ' MET . 69.1 p -50.2 -24.85 3.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.089 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.42 ' HB1' ' HB2' ' D' ' 6' ' ' ASP . . . -75.84 -72.72 0.3 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.461 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 5.2 p -87.88 -54.13 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.538 ' HB3' HG22 ' B' ' 81' ' ' THR . 0.9 OUTLIER -44.8 -24.5 0.21 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.046 0.45 . . . . 0.0 110.865 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . 0.405 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tm-20 -50.75 -63.5 1.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.187 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.43 -21.25 10.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.461 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 9.3 m-85 -80.17 -11.95 59.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.236 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.479 ' HB3' ' O ' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -48.7 -53.29 19.41 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 110.985 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 71.55 -55.74 0.65 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.795 0.331 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -57.48 -71.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.028 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -98.98 -2.24 37.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.777 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.621 ' O ' ' CD1' ' C' ' 5' ' ' ILE . 0.1 OUTLIER -82.23 -2.12 51.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.512 0.196 . . . . 0.0 110.722 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.621 ' CD1' ' O ' ' C' ' 4' ' ' LYS . 2.0 pp 54.59 -7.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.54 ' H ' ' C ' ' C' ' 4' ' ' LYS . 10.0 t70 69.22 -25.82 0.15 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.611 ' O ' ' CB ' ' C' ' 8' ' ' ASN . 14.3 m95 -38.25 -51.88 1.48 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.724 0.693 . . . . 0.0 110.462 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' C' ' 7' ' ' TRP . 21.1 t-20 117.03 -91.52 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.431 0.693 . . . . 0.0 112.851 178.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.67 -36.44 11.21 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.702 HG22 ' H ' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.29 -60.17 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.775 -178.329 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.702 ' H ' HG22 ' C' ' 10' ' ' ILE . 1.6 mm? -86.88 -12.59 47.34 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.061 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.723 0.297 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -57.51 -71.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.983 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 74.9 p -98.89 -2.38 37.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.729 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.631 ' O ' ' CD1' ' D' ' 5' ' ' ILE . 0.1 OUTLIER -82.07 -2.18 51.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.489 0.185 . . . . 0.0 110.739 179.455 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.631 ' CD1' ' O ' ' D' ' 4' ' ' LYS . 2.0 pp 54.6 -7.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.529 ' H ' ' C ' ' D' ' 4' ' ' LYS . 9.9 t70 69.29 -25.91 0.15 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.624 ' O ' ' CB ' ' D' ' 8' ' ' ASN . 14.4 m95 -38.21 -51.91 1.46 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.737 0.699 . . . . 0.0 110.472 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.624 ' CB ' ' O ' ' D' ' 7' ' ' TRP . 21.1 t-20 116.95 -91.36 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.489 0.716 . . . . 0.0 112.927 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.8 -36.37 11.17 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.717 HG22 ' H ' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.27 -60.27 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.794 -178.364 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.717 ' H ' HG22 ' D' ' 10' ' ' ILE . 1.6 mm? -86.76 -12.63 47.56 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 176.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.512 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.051 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.87 0.367 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . 0.458 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.1 OUTLIER -66.02 -36.54 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.336 0.589 . . . . 0.0 110.792 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.458 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -58.68 -22.73 57.83 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.788 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -47.12 12.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -74.2 -37.76 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.061 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.8 -45.61 85.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.943 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.444 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -57.03 -55.04 39.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.098 0.475 . . . . 0.0 110.051 179.41 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 t -72.84 -20.72 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.371 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.413 ' N ' ' O ' ' A' ' 5' ' ' LYS . . . -59.43 -43.35 93.1 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.401 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 3.5 mt -65.41 -46.34 80.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.386 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.458 HD12 HG23 ' A' ' 11' ' ' ILE . 8.1 mt -59.02 -37.13 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.787 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -56.35 -39.89 73.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 9.4 t -62.48 -65.27 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.392 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -61.14 -25.84 67.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.812 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . 0.463 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 41.9 t60 -77.03 -19.45 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -45.59 12.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.977 0.418 . . . . 0.0 110.309 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 34' ' ' GLU . 3.3 m-85 -83.2 -61.12 1.94 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.98 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -63.02 122.02 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.93 -35.67 1.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.606 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.95 -29.86 70.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.52 -69.51 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.48 -41.06 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.508 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -66.93 -43.66 82.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.872 0.368 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.44 19.42 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.423 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 5.0 t-160 -134.87 -32.72 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.444 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.94 160.63 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' O ' ' A' ' 68' ' ' CYS . 5.6 mp -135.18 139.09 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.044 0.45 . . . . 0.0 111.005 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -91.79 179.47 5.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' N ' ' HE3' ' A' ' 57' ' ' MET . 0.0 OUTLIER -55.54 -23.19 25.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.135 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -44.18 15.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.245 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.93 -68.14 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.537 -179.382 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.411 ' CD1' ' N ' ' A' ' 33' ' ' LYS . 1.4 tm? -49.8 -64.78 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.57 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.411 ' N ' ' CD1' ' A' ' 32' ' ' LEU . 26.7 ttmt -46.83 -43.94 18.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.548 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.478 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -47.28 -47.77 25.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.58 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.456 ' CD2' ' CD1' ' A' ' 17' ' ' TYR . 3.4 mm? -62.85 -50.26 71.65 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 121.351 0.596 . . . . 0.0 110.736 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.517 HD13 ' HB ' ' A' ' 47' ' ' ILE . 1.1 mt -47.42 -46.04 10.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.636 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -27.88 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.996 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.438 ' N ' ' O ' ' A' ' 34' ' ' GLU . 31.7 t30 -71.87 -30.47 65.45 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.641 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' LEU . 5.4 mt-10 -109.08 -55.38 2.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -89.44 51.08 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.74 179.788 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.0 p -67.78 -62.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -96.13 41.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -150.53 -61.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt 61.32 89.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.799 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -111.57 -50.28 2.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.76 3.66 36.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.48 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.577 HG23 ' CG2' ' A' ' 53' ' ' VAL . 0.2 OUTLIER 175.61 149.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.927 0.394 . . . . 0.0 110.457 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' HD3' ' N ' ' A' ' 48' ' ' LYS . 0.0 OUTLIER -121.36 -89.59 0.6 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.52 -179.01 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -73.31 155.45 39.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.531 ' HA ' HG21 ' A' ' 53' ' ' VAL . 5.5 pt20 -61.81 -33.16 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.69 -44.5 85.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.524 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.522 HG21 ' N ' ' A' ' 53' ' ' VAL . 25.8 m -66.38 -35.36 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.536 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.592 ' HA ' HG21 ' A' ' 56' ' ' VAL . 2.4 t -55.73 -56.13 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-O 120.588 0.232 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.34 -39.51 57.16 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' THR . 10.3 ttmt -67.55 -42.15 83.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.539 178.235 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.592 HG21 ' HA ' ' A' ' 53' ' ' VAL . 35.4 t -56.78 -62.2 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.428 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.404 ' HE3' ' N ' ' A' ' 29' ' ' LYS . 29.4 mtp -57.06 -24.11 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.29 -27.21 23.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.323 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.499 ' N ' ' O ' ' A' ' 55' ' ' LYS . 37.9 m -76.11 -28.63 57.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.027 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' CD1' ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -80.88 -51.11 8.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 0.0 110.697 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 t70 37.71 75.83 0.06 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.919 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -76.01 -61.26 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 179.8 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -174.76 35.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.95 7.74 14.86 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.633 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.45 26.47 15.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.72 18.52 5.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.957 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -117.28 155.78 28.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.948 0.404 . . . . 0.0 110.584 179.75 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.473 ' O ' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.02 86.57 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.115 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.701 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -76.33 -172.24 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.107 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.622 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.8 t80 -74.5 -20.08 60.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.084 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -83.34 -29.04 28.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.471 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.08 -41.28 14.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.493 -179.242 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.622 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -72.79 -45.75 56.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.0 110.531 179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -62.96 -38.37 90.83 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -73.59 -24.32 60.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.774 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.73 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 79.2 t80 -68.02 -68.72 0.37 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.766 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.77 -31.04 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 121.482 0.658 . . . . 0.0 110.101 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.9 -39.79 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.962 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' MET . . . . . 0.73 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 2.0 ptt? -75.7 -44.78 40.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.655 0.264 . . . . 0.0 110.802 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.577 ' N ' ' HG3' ' A' ' 79' ' ' MET . 75.0 t -63.38 -38.13 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.119 0.485 . . . . 0.0 110.057 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.445 HG22 ' CG ' ' A' ' 85' ' ' HIS . 3.3 m -67.99 -51.42 47.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.478 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 98.4 m -51.1 -27.13 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.077 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' HB3' ' HA ' ' C' ' 5' ' ' ILE . . . -78.35 -70.93 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.457 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 5.3 p -87.25 -54.1 4.49 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.467 ' HA ' ' CB ' ' A' ' 89' ' ' GLU . 5.4 t60 -46.01 -25.32 0.54 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.083 0.468 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -48.96 -64.3 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.616 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.58 -27.58 7.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.768 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 12.0 m-85 -71.71 -17.69 62.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.79 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.467 ' CB ' ' HA ' ' A' ' 85' ' ' HIS . 2.2 tt0 -138.87 87.95 2.25 Favored 'General case' 0 N--CA 1.46 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -113.73 -37.01 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.815 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.903 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.1 OUTLIER -66.03 -36.4 83.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 110.801 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . 0.456 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -58.84 -22.71 59.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.781 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.66 -47.03 12.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . 0.407 ' O ' ' N ' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -74.23 -37.73 63.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.072 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.71 -45.69 85.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.953 179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.44 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -57.01 -54.96 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.998 0.427 . . . . 0.0 110.089 179.414 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 t -72.85 -20.85 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.344 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 5' ' ' LYS . . . -59.31 -43.3 92.65 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.4 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 3.4 mt -65.59 -46.14 80.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.416 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.487 HG23 HD12 ' B' ' 11' ' ' ILE . 8.1 mt -59.06 -37.15 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.793 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -56.34 -39.97 73.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.59 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.404 ' CG1' ' HG ' ' B' ' 35' ' ' LEU . 9.4 t -62.35 -65.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.526 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -60.94 -25.99 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . 0.46 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 42.0 t60 -77.02 -19.41 57.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -45.57 12.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.887 0.375 . . . . 0.0 110.248 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' B' ' 34' ' ' GLU . 3.3 m-85 -83.19 -61.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.961 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -62.98 122.03 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.89 -35.62 1.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.614 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.97 -29.81 70.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.754 0.312 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.49 -69.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.43 -40.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -66.98 -43.64 82.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.33 19.54 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 5.0 t-160 -134.95 -32.66 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.437 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.71 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.95 160.58 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.476 ' CD1' ' O ' ' B' ' 68' ' ' CYS . 5.6 mp -135.13 139.08 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.961 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -91.81 179.48 5.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.191 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.401 ' N ' ' HE3' ' B' ' 57' ' ' MET . 0.0 OUTLIER -55.66 -23.09 26.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.115 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.17 -44.1 15.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.177 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -72.89 -68.23 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 111.545 -179.386 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.404 ' CD1' ' N ' ' B' ' 33' ' ' LYS . 1.4 tm? -49.68 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.606 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.404 ' N ' ' CD1' ' B' ' 32' ' ' LEU . 26.7 ttmt -46.84 -43.9 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.586 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.481 ' HB3' ' CZ ' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -47.16 -47.91 23.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.617 -179.635 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.462 ' CD2' ' CD1' ' B' ' 17' ' ' TYR . 3.4 mm? -62.8 -50.28 71.62 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.288 0.566 . . . . 0.0 110.708 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.52 HD13 ' HB ' ' B' ' 47' ' ' ILE . 1.1 mt -47.44 -46.01 10.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.687 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.12 -28.02 42.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.038 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.437 ' N ' ' O ' ' B' ' 34' ' ' GLU . 31.8 t30 -71.95 -30.32 65.17 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.63 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' B' ' 35' ' ' LEU . 5.3 mt-10 -109.1 -55.44 2.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.473 HD11 ' HA ' ' B' ' 36' ' ' ILE . 0.2 OUTLIER -89.36 50.98 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.68 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.2 p -67.76 -62.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -96.04 41.04 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -150.42 -61.84 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 mt 61.36 89.61 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.8 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -111.47 -50.4 2.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.982 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.7 3.62 36.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.577 HG23 ' CG2' ' B' ' 53' ' ' VAL . 0.2 OUTLIER 175.59 149.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.851 0.358 . . . . 0.0 110.445 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.426 ' HD3' ' N ' ' B' ' 48' ' ' LYS . 0.0 OUTLIER -121.3 -89.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.473 -179.05 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . . . . . . . . . 17.6 mm-40 -73.29 155.55 39.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 -179.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.531 ' HA ' HG21 ' B' ' 53' ' ' VAL . 5.5 pt20 -61.86 -33.15 73.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.74 -44.52 85.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.481 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.513 HG21 ' N ' ' B' ' 53' ' ' VAL . 26.1 m -66.32 -35.37 74.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.537 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.6 ' HA ' HG21 ' B' ' 56' ' ' VAL . 2.4 t -55.76 -56.08 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 120.568 0.223 . . . . 0.0 110.952 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.27 -39.6 57.11 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 59' ' ' THR . 10.2 ttmt -67.57 -42.08 83.14 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.545 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.6 HG21 ' HA ' ' B' ' 53' ' ' VAL . 36.9 t -56.94 -62.1 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.434 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.401 ' HE3' ' N ' ' B' ' 29' ' ' LYS . 29.1 mtp -57.04 -24.13 51.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.512 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.2 -27.4 23.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.334 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.499 ' N ' ' O ' ' B' ' 55' ' ' LYS . 37.3 m -75.96 -28.71 58.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.447 ' CD1' ' CD1' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -80.83 -50.99 9.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.764 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 t70 37.57 75.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.909 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -76.01 -61.22 2.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 110.756 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -174.83 35.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.0 7.78 14.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.692 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.45 26.49 15.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.71 18.43 5.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.963 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.417 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -117.33 155.68 29.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.008 0.432 . . . . 0.0 110.593 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.476 ' O ' ' CD1' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -100.86 86.5 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.217 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.71 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -76.22 -172.37 2.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.097 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.628 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 4.9 t80 -74.33 -20.17 60.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.784 0.325 . . . . 0.0 111.184 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -83.33 -28.93 28.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.475 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.07 -41.46 14.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.415 -179.228 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.628 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -72.73 -45.86 56.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.296 . . . . 0.0 110.459 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -62.85 -38.44 90.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -73.56 -24.25 60.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.786 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.74 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 79.2 t80 -68.05 -68.64 0.37 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.81 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.8 -31.04 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 121.431 0.634 . . . . 0.0 110.093 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.86 -39.82 19.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.901 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' MET . . . . . 0.74 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 2.0 ptt? -75.72 -44.78 40.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.645 0.259 . . . . 0.0 110.805 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.573 ' N ' ' HG3' ' B' ' 79' ' ' MET . 74.8 t -63.39 -38.07 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.201 0.524 . . . . 0.0 110.08 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.435 HG22 ' CG ' ' B' ' 85' ' ' HIS . 3.3 m -67.94 -51.52 46.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.517 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.3 m -51.05 -27.12 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.054 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . 0.475 ' HB3' ' HA ' ' D' ' 5' ' ' ILE . . . -78.35 -70.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . 0.467 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 5.2 p -87.36 -54.02 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.472 ' HA ' ' CB ' ' B' ' 89' ' ' GLU . 5.4 t60 -46.03 -25.32 0.54 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.071 0.463 . . . . 0.0 110.836 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -49.07 -64.17 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.634 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.6 -27.49 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.467 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 12.0 m-85 -71.89 -17.55 62.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.746 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.472 ' CB ' ' HA ' ' B' ' 85' ' ' HIS . 2.2 tt0 -138.96 87.85 2.24 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.894 0.378 . . . . 0.0 111.18 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -113.69 -36.96 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.79 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.952 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.79 0.328 . . . . 0.0 111.251 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.68 -68.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 110.818 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 20.0 p -98.34 -1.9 40.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.34 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.509 ' C ' ' CD1' ' C' ' 5' ' ' ILE . 0.0 OUTLIER -79.24 -3.22 44.81 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.114 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.602 ' HB ' ' HD1' ' C' ' 7' ' ' TRP . 0.1 OUTLIER 44.68 13.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.452 ' HB2' ' CB ' ' A' ' 83' ' ' ALA . 22.4 t0 38.65 28.93 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.615 ' O ' ' HB2' ' C' ' 8' ' ' ASN . 10.1 m95 -89.15 -30.02 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.615 ' HB2' ' O ' ' C' ' 7' ' ' TRP . 3.4 m-20 80.7 -162.99 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.479 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.45 -41.63 0.09 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.542 HG13 HG22 ' A' ' 56' ' ' VAL . 0.0 OUTLIER -54.62 -60.28 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 118.129 0.422 . . . . 0.0 111.674 -178.406 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.567 ' HB2' ' CB ' ' C' ' 7' ' ' TRP . 1.3 mp -89.21 -14.51 35.82 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.418 ' N ' ' O ' ' C' ' 8' ' ' ASN . 93.5 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.742 0.306 . . . . 0.0 111.198 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -68.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 19.8 p -98.36 -1.92 40.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.31 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.51 ' C ' ' CD1' ' D' ' 5' ' ' ILE . 0.0 OUTLIER -79.17 -3.26 44.77 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.1 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.614 ' HB ' ' HD1' ' D' ' 7' ' ' TRP . 0.1 OUTLIER 44.77 13.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.789 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.447 ' HB2' ' CB ' ' B' ' 83' ' ' ALA . 22.4 t0 38.8 28.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.617 ' O ' ' HB2' ' D' ' 8' ' ' ASN . 10.0 m95 -89.17 -30.04 18.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.617 ' HB2' ' O ' ' D' ' 7' ' ' TRP . 3.4 m-20 80.61 -163.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.506 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.37 -41.67 0.08 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -177.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.527 HG13 HG22 ' B' ' 56' ' ' VAL . 0.0 OUTLIER -54.53 -60.4 1.53 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 122.034 -0.416 . . . . 0.0 111.687 -178.452 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.577 ' HB2' ' CB ' ' D' ' 7' ' ' TRP . 1.3 mp -89.14 -14.59 35.82 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.423 ' N ' ' O ' ' D' ' 8' ' ' ASN . 94.0 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.922 0.392 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.96 -23.28 63.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.4 -25.86 61.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.094 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.8 -44.99 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.137 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.64 -55.72 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.603 -179.533 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -57.1 -50.49 72.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.748 0.309 . . . . 0.0 111.539 -179.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.487 ' O ' HG13 ' A' ' 11' ' ' ILE . 22.3 ttm -48.34 -66.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.77 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.19 -19.74 24.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.655 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.39 -42.07 95.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.181 0.515 . . . . 0.0 109.942 179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.424 ' HG ' ' N ' ' A' ' 11' ' ' ILE . 0.8 OUTLIER -72.0 -37.19 69.86 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.662 179.031 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 7' ' ' MET . 3.7 mt -66.65 -41.52 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.86 -40.12 28.36 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 41.8 t -57.85 -48.5 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.033 178.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.526 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -70.58 -27.44 64.12 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.434 179.226 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.48 -22.15 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.42 -38.44 24.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.862 0.363 . . . . 0.0 110.46 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.412 ' CG ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 m-85 -82.8 -57.64 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -63.28 125.13 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.122 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.4 36.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.52 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -101.4 -29.63 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -100.66 -37.24 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.3 -38.56 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.652 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -57.97 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.16 173.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.517 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 19.8 t-160 60.96 41.05 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.966 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.549 ' HG2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -174.84 148.44 1.08 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.176 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.621 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 2.4 mm? -129.11 138.47 51.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.189 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.456 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.5 OUTLIER -111.96 -177.72 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.297 0.57 . . . . 0.0 111.831 -178.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -58.51 -19.81 40.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.969 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -83.19 -56.63 3.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -74.75 -59.99 2.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.25 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -42.46 -62.45 0.97 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.803 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.488 ' HD2' ' CG1' ' A' ' 53' ' ' VAL . 0.1 OUTLIER -52.87 -63.5 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 111.179 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -51.88 -26.23 9.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.345 -179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.412 ' HG ' ' CG ' ' A' ' 17' ' ' TYR . 0.4 OUTLIER -67.83 -57.2 6.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 111.092 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.41 ' O ' HD12 ' A' ' 40' ' ' LEU . 1.6 mt -45.68 -63.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.436 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.6 p30 -56.52 -21.97 29.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.733 0.301 . . . . 0.0 110.875 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -84.46 -41.3 16.74 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . 0.405 ' CG ' ' CD2' ' A' ' 35' ' ' LEU . 60.4 mm-40 -90.74 -35.45 14.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.41 HD12 ' O ' ' A' ' 36' ' ' ILE . 7.9 mp -83.92 33.96 0.49 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.67 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p 45.88 29.09 0.67 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.699 0.285 . . . . 0.0 111.571 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.436 ' CD2' ' HB2' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 56.92 22.49 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.961 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -23.54 47.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt 65.98 58.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.584 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -79.58 -40.75 28.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.067 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -106.82 21.92 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.474 ' CG2' ' CG2' ' A' ' 53' ' ' VAL . 12.6 pt -153.27 83.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.035 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' HG2' HG23 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -63.5 -13.15 38.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.379 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.434 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -165.32 173.9 10.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.511 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.42 ' HA ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -74.71 -39.22 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.97 0.414 . . . . 0.0 110.997 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.87 -44.12 96.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.522 HG21 ' N ' ' A' ' 53' ' ' VAL . 25.4 m -61.53 -41.35 89.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.519 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.522 ' N ' HG21 ' A' ' 52' ' ' VAL . 3.3 t -51.96 -56.52 5.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.678 0.275 . . . . 0.0 111.057 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -48.99 -41.34 34.04 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.027 0.441 . . . . 0.0 110.088 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' THR . 8.1 ttmt -70.23 -40.97 74.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.569 178.647 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 47.6 t -57.76 -57.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.488 179.421 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -59.02 -22.31 60.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.006 0.431 . . . . 0.0 109.961 179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.75 -29.43 23.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.91 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.48 ' CG2' ' HB2' ' C' ' 8' ' ' ASN . 2.5 m -70.88 -30.09 66.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 HD13 ' CD1' ' A' ' 76' ' ' PHE . 16.5 mt -80.25 -19.97 45.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -49.47 99.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -83.59 -59.12 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 178.03 39.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.67 -57.46 1.18 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.622 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -178.59 39.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 111.261 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.32 17.14 51.98 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.03 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.456 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -123.7 -177.48 3.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.723 0.296 . . . . 0.0 110.395 179.763 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.621 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -107.86 86.33 2.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.81 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.549 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 4.6 p-10 -84.17 -162.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.714 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.451 ' O ' ' HB2' ' A' ' 73' ' ' PHE . 3.6 t80 -71.84 -32.8 67.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.103 0.478 . . . . 0.0 110.669 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.94 -32.45 72.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.321 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 1.4 mm-40 -78.12 -22.6 48.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.741 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.526 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 1.1 m-30 -61.99 -46.85 87.42 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.414 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 19.1 mmt -63.38 -58.18 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.382 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.63 -25.05 24.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.435 ' CD1' HG21 ' A' ' 80' ' ' VAL . 41.5 t80 -74.37 -73.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.718 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 13.3 t -58.72 -19.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 74' ' ' MET . . . -81.66 -53.19 6.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.883 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.1 mtm -70.53 -45.59 65.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.229 0.538 . . . . 0.0 110.654 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.487 HG12 ' CE2' ' C' ' 7' ' ' TRP . 60.3 t -59.19 -55.21 25.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.142 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -71.57 -53.21 14.51 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.698 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.469 ' N ' ' CG2' ' A' ' 81' ' ' THR . 84.7 m -50.8 -23.44 2.75 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.03 -71.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.881 0.372 . . . . 0.0 111.679 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.71 -53.01 5.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.015 -178.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.464 ' HA ' ' CA ' ' A' ' 89' ' ' GLU . 7.9 t60 -49.04 -22.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.943 0.401 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -49.24 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.462 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.6 -7.43 7.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -100.03 -17.36 17.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 67.19 -71.69 0.1 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -112.85 -65.15 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.959 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.884 0.373 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -59.97 -23.2 63.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.4 -25.83 61.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.89 -45.02 13.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.098 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.65 -55.77 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.56 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.99 -50.57 72.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 111.501 -179.675 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.486 ' O ' HG13 ' B' ' 11' ' ' ILE . 22.3 ttm -48.34 -66.73 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.898 0.38 . . . . 0.0 110.735 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.01 -19.87 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.677 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.32 -42.03 94.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.118 0.485 . . . . 0.0 109.902 179.328 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.425 ' HG ' ' N ' ' B' ' 11' ' ' ILE . 0.8 OUTLIER -72.0 -37.18 69.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.633 179.129 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.486 HG13 ' O ' ' B' ' 7' ' ' MET . 3.7 mt -66.69 -41.52 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.92 -40.09 28.68 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . 0.405 ' CG1' ' HG3' ' B' ' 39' ' ' GLU . 41.4 t -57.82 -48.54 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.023 178.439 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.53 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -70.66 -27.46 64.06 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.416 179.292 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -77.5 -22.01 51.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.35 -38.44 24.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.948 0.404 . . . . 0.0 110.517 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.411 ' CG ' ' HG ' ' B' ' 35' ' ' LEU . 2.2 m-85 -82.9 -57.62 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -63.28 125.11 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.36 36.4 1.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -101.39 -29.66 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -100.59 -37.23 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.24 -38.53 1.09 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.695 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -57.91 10.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.759 0.314 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.09 173.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.513 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 19.9 t-160 60.99 41.04 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.981 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.554 ' HG2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -174.91 148.49 1.05 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.135 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.617 ' HB2' ' O ' ' B' ' 68' ' ' CYS . 2.4 mm? -129.12 138.49 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.171 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . 0.451 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.5 OUTLIER -111.92 -177.81 3.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.263 0.554 . . . . 0.0 111.836 -178.873 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . 0.442 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -58.54 -19.73 40.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.962 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.0 t -83.13 -56.66 3.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.831 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 0.5 OUTLIER -74.78 -59.92 2.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.294 -179.771 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -42.66 -62.36 1.01 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.765 -179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.485 ' HD2' ' CG1' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -52.89 -63.49 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 111.218 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -51.74 -26.36 9.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.435 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' B' ' 31' ' ' GLU . 0.4 OUTLIER -67.78 -57.19 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 0.0 111.106 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.421 ' O ' HD12 ' B' ' 40' ' ' LEU . 1.6 mt -45.71 -63.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . 0.433 ' HB2' ' CD2' ' B' ' 42' ' ' HIS . 1.6 p30 -56.48 -21.97 29.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.779 0.323 . . . . 0.0 110.939 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -84.46 -41.42 16.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.961 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.405 ' HG3' ' CG1' ' B' ' 13' ' ' VAL . 60.4 mm-40 -90.69 -35.44 14.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.421 HD12 ' O ' ' B' ' 36' ' ' ILE . 7.9 mp -83.87 33.98 0.49 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.591 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.9 p 45.87 29.09 0.67 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.721 0.296 . . . . 0.0 111.561 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . 0.433 ' CD2' ' HB2' ' B' ' 37' ' ' ASN . 0.6 OUTLIER 56.92 22.52 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.985 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -23.39 47.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt 66.02 57.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.938 0.399 . . . . 0.0 110.631 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -79.56 -40.7 28.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.119 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -106.81 22.01 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.206 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.473 ' CG2' ' CG2' ' B' ' 53' ' ' VAL . 12.7 pt -153.23 83.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.006 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.457 ' HG2' HG23 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -63.46 -13.13 37.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.309 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.431 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -165.41 173.83 10.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.47 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.437 ' HA ' HG23 ' B' ' 53' ' ' VAL . 0.3 OUTLIER -74.78 -39.17 61.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.888 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.73 -44.26 96.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.521 HG21 ' N ' ' B' ' 53' ' ' VAL . 25.4 m -61.48 -41.29 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.547 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.521 ' N ' HG21 ' B' ' 52' ' ' VAL . 3.3 t -52.0 -56.49 6.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.689 0.281 . . . . 0.0 111.088 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -49.01 -41.3 34.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.048 0.451 . . . . 0.0 110.077 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 8.1 ttmt -70.27 -40.98 74.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.571 178.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . . . . . . . . . 47.2 t -57.66 -57.77 8.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.526 179.358 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 2.2 ppp? -58.99 -22.4 60.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.979 0.419 . . . . 0.0 109.963 179.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.64 -29.39 24.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.493 HG22 HG23 ' D' ' 10' ' ' ILE . 2.6 m -70.98 -30.15 66.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.421 HD13 ' CD1' ' B' ' 76' ' ' PHE . 16.5 mt -80.22 -19.82 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -49.59 99.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -83.59 -59.09 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 177.98 39.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.63 -57.53 1.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.62 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -178.61 39.26 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.771 0.319 . . . . 0.0 111.252 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.29 17.16 51.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.98 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.451 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.6 OUTLIER -123.77 -177.51 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.653 0.263 . . . . 0.0 110.351 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.617 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -107.86 86.44 2.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.839 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.554 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 4.6 p-10 -84.32 -162.08 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.656 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.445 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 3.6 t80 -71.8 -32.92 68.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.482 . . . . 0.0 110.673 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.85 -32.4 72.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.328 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.431 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 1.4 mm-40 -78.29 -22.45 48.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.743 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.53 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 1.1 m-30 -62.07 -46.83 87.4 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.405 ' O ' ' CB ' ' B' ' 78' ' ' ALA . 19.1 mmt -63.34 -58.34 7.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.308 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.58 -25.03 23.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.007 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.433 ' CD1' HG21 ' B' ' 80' ' ' VAL . 41.5 t80 -74.36 -73.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 13.3 t -58.65 -19.47 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.245 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' B' ' 74' ' ' MET . . . -81.75 -53.14 6.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.844 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.2 mtm -70.53 -45.55 65.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.323 0.583 . . . . 0.0 110.746 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.489 HG12 ' CE2' ' D' ' 7' ' ' TRP . 59.8 t -59.14 -55.26 24.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.149 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -71.61 -53.18 14.53 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.642 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.472 ' N ' ' CG2' ' B' ' 81' ' ' THR . 85.1 m -50.8 -23.43 2.75 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.0 -71.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 0.0 111.627 -179.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -52.92 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.059 -178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.466 ' HA ' ' CA ' ' B' ' 89' ' ' GLU . 7.9 t60 -49.09 -22.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -49.31 -64.85 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.503 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.61 -7.36 7.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.751 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -100.06 -17.26 17.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.569 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.466 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 0.0 OUTLIER 67.05 -71.58 0.1 Allowed 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.826 0.346 . . . . 0.0 110.975 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -112.94 -65.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.867 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.785 0.326 . . . . 0.0 111.211 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -71.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.962 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.96 -4.79 31.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.654 ' O ' HG12 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -80.68 -1.92 44.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.827 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.654 HG12 ' O ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 52.03 -7.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 123.901 0.88 . . . . 0.0 113.314 -179.373 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.608 ' H ' ' C ' ' C' ' 4' ' ' LYS . 22.9 t70 55.18 15.36 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.577 ' CD1' ' HB ' ' C' ' 5' ' ' ILE . 10.3 m0 -64.35 -32.54 74.19 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.713 ' O ' ' HA ' ' C' ' 12' ' ' SER . 50.0 m-20 102.21 -94.68 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.933 0.893 . . . . 0.0 113.29 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.403 ' H ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -96.26 -43.39 7.73 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -177.674 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.488 ' CG2' ' HE3' ' C' ' 7' ' ' TRP . 2.5 tp -52.05 -59.41 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.581 0.229 . . . . 0.0 110.803 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.515 ' HG ' ' CE3' ' C' ' 7' ' ' TRP . 26.7 mt -92.23 -11.53 35.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.713 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 23.3 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.053 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.696 0.284 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -71.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.987 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.95 -4.72 32.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.609 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.646 ' O ' HG12 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -80.82 -1.85 44.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.766 -0.197 . . . . 0.0 110.765 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.646 HG12 ' O ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 52.05 -7.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.924 0.89 . . . . 0.0 113.246 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.6 ' H ' ' C ' ' D' ' 4' ' ' LYS . 22.9 t70 55.26 15.38 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.588 ' CD1' ' HB ' ' D' ' 5' ' ' ILE . 10.3 m0 -64.5 -32.45 74.09 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.716 ' O ' ' HA ' ' D' ' 12' ' ' SER . 50.0 m-20 102.1 -94.68 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.913 0.885 . . . . 0.0 113.295 178.027 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.2 -43.43 7.73 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -177.721 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.493 HG23 HG22 ' B' ' 59' ' ' THR . 2.5 tp -52.04 -59.36 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.501 0.191 . . . . 0.0 110.776 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.519 ' HG ' ' CE3' ' D' ' 7' ' ' TRP . 26.5 mt -92.31 -11.53 34.88 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.716 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 23.3 t . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.967 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.807 0.337 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.16 -24.68 63.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.33 -52.41 61.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -40.38 65.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -61.24 -57.39 12.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.4 ' HA ' ' HB1' ' A' ' 9' ' ' ALA . . . -56.66 -50.23 72.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' MET . . . . . 0.528 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.7 ttm -47.92 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 t -69.66 -17.13 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.853 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.4 ' HB1' ' HA ' ' A' ' 6' ' ' ALA . . . -61.21 -43.52 98.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.251 0.548 . . . . 0.0 109.78 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.437 ' CD1' ' HB3' ' A' ' 73' ' ' PHE . 0.8 OUTLIER -71.44 -38.51 71.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.477 178.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.528 HG13 ' O ' ' A' ' 7' ' ' MET . 2.7 mt -66.49 -33.1 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.124 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -51.74 -47.87 63.87 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.518 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.9 t -55.11 -43.9 72.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.018 178.67 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -72.07 -28.1 63.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.891 178.905 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -66.62 -20.75 66.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.02 -51.86 6.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.997 0.427 . . . . 0.0 109.913 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.538 ' CE2' HD13 ' A' ' 35' ' ' LEU . 20.0 m-85 -84.63 -65.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.508 ' CB ' ' CD2' ' A' ' 14' ' ' PHE . 1.9 t -51.94 133.53 32.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.525 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.653 ' HA2' ' HB3' ' A' ' 24' ' ' LYS . . . 58.71 79.71 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.238 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -62.35 1.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.733 0.302 . . . . 0.0 111.538 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.48 25.57 11.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.78 -32.39 5.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.435 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.79 -31.59 69.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.653 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -97.35 160.62 14.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 111.043 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' HIS . . . . . 0.587 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.5 t-160 -165.39 52.39 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.82 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 1.5 mtpp -164.02 168.38 19.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.365 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.509 HD22 ' O ' ' A' ' 68' ' ' CYS . 0.5 OUTLIER -133.16 137.91 46.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.179 178.87 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -93.7 179.54 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -52.69 -34.89 54.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.484 179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . 0.596 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -84.05 -37.42 22.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.738 -179.641 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.6 -67.44 0.53 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.447 ' N ' ' HB3' ' A' ' 27' ' ' LEU . 3.1 tm? -50.88 -61.03 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.974 0.416 . . . . 0.0 111.207 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.435 ' HG3' ' CG1' ' A' ' 53' ' ' VAL . 26.0 ttmt -50.6 -33.73 23.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.338 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.596 ' HB3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -56.56 -45.3 81.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . 0.538 HD13 ' CE2' ' A' ' 17' ' ' TYR . 2.7 mm? -60.19 -44.55 94.99 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 121.378 0.608 . . . . 0.0 110.643 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ILE . . . . . 0.532 ' HA ' HD11 ' A' ' 40' ' ' LEU . 1.7 mt -52.03 -50.98 32.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.826 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.57 -19.54 52.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.693 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' GLU . 57.3 t30 -82.32 -29.4 31.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.673 0.273 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -117.62 -38.67 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.434 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.532 HD11 ' HA ' ' A' ' 36' ' ' ILE . 1.1 mt -94.92 29.96 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.051 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.21 -32.13 70.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -83.21 -30.39 27.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.05 85.95 1.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.33 71.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.665 179.759 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -61.45 125.69 24.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.265 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' HB3' ' CH2' ' C' ' 7' ' ' TRP . 0.7 OUTLIER 70.78 10.27 7.0 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.397 179.732 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.516 HG13 ' CG2' ' A' ' 36' ' ' ILE . 4.9 mm -141.26 105.16 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.431 . . . . 0.0 109.999 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.411 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -106.44 -47.67 3.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.138 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.444 ' O ' ' CG2' ' A' ' 53' ' ' VAL . 24.1 mt-10 -120.91 172.15 8.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.435 ' HA ' HG22 ' A' ' 53' ' ' VAL . 1.2 pt20 -74.12 -33.62 63.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.001 0.429 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.9 -44.46 85.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.596 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.431 HG22 ' N ' ' A' ' 53' ' ' VAL . 15.1 m -63.98 -40.63 89.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.677 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.491 ' CG2' ' CG2' ' A' ' 47' ' ' ILE . 1.6 t -53.62 -54.87 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.807 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -37.27 40.13 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.442 ' HB3' HG12 ' C' ' 10' ' ' ILE . 0.9 OUTLIER -74.4 -34.78 63.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.156 178.281 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.489 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 70.0 t -60.95 -62.67 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.767 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 0.0 OUTLIER -55.0 -29.78 58.06 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.98 0.419 . . . . 0.0 110.131 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' A' ' 57' ' ' MET . 1.6 mt-10 -75.0 -31.32 61.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.493 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' THR . . . . . 0.515 ' OG1' ' HB ' ' C' ' 10' ' ' ILE . 60.0 m -72.0 -17.39 62.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.34 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.489 ' HG ' ' O ' ' A' ' 56' ' ' VAL . 0.1 OUTLIER -104.04 -24.04 13.25 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.663 179.288 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -44.05 124.9 4.1 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.586 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -121.04 -40.74 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.817 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -162.39 52.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' HA3' ' HE2' ' A' ' 26' ' ' LYS . . . -124.4 0.77 8.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.861 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.28 13.54 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.588 0.233 . . . . 0.0 111.215 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.65 -3.42 8.7 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.176 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.472 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -96.69 172.58 7.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.0 0.429 . . . . 0.0 110.438 179.854 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . 0.509 ' O ' HD22 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -128.91 85.83 2.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.643 179.541 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . 0.526 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 1.1 p-10 -77.65 -156.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.484 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' PHE . . . . . 0.461 ' CE1' ' CD1' ' A' ' 11' ' ' ILE . 0.4 OUTLIER -73.32 -44.56 58.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.923 0.392 . . . . 0.0 111.088 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 1.4 pt20 -56.7 -30.02 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.507 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 1.5 mm-40 -72.46 -33.2 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.3 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PHE . . . . . 0.457 ' HB2' ' O ' ' A' ' 70' ' ' PHE . 0.5 OUTLIER -55.3 -42.93 74.33 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.651 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' MET . . . . . 0.442 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 24.8 mmm -58.74 -58.22 9.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.139 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.54 -23.5 27.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.432 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' PHE . . . . . 0.47 ' CD1' HD11 ' A' ' 60' ' ' LEU . 20.3 t80 -75.76 -74.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.236 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 1.7 m -58.46 -27.16 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.383 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.442 ' CB ' ' O ' ' A' ' 74' ' ' MET . . . -75.68 -45.97 33.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 26.5 mtm -76.52 -54.71 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.442 . . . . 0.0 111.28 -179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.436 ' HA ' ' CD1' ' C' ' 7' ' ' TRP . 95.1 t -53.32 -55.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.087 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.421 ' CG2' ' N ' ' A' ' 82' ' ' THR . 0.6 OUTLIER -63.93 -48.3 77.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.73 -178.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.421 ' N ' ' CG2' ' A' ' 81' ' ' THR . 27.6 m -55.22 -20.56 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.597 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.74 -72.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.411 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 p -87.94 -50.98 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.034 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' HIS . . . . . 0.459 ' CD2' ' CZ ' ' B' ' 70' ' ' PHE . 2.9 t60 -47.58 -26.1 1.35 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.968 0.414 . . . . 0.0 110.67 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -44.73 -64.13 0.76 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.437 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.95 -20.03 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.743 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.46 ' CZ ' ' HB ' ' C' ' 3' ' ' THR . 11.7 m-85 -88.26 -17.82 29.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.903 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER 66.01 -72.06 0.08 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.633 0.254 . . . . 0.0 111.066 179.661 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.6 m-70 164.91 115.98 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.257 0.551 . . . . 0.0 110.039 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.901 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.779 0.323 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.97 -24.75 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.27 -52.44 62.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -40.32 65.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -61.2 -57.51 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' ALA . . . . . 0.404 ' HA ' ' HB1' ' B' ' 9' ' ' ALA . . . -56.42 -50.44 71.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' MET . . . . . 0.522 ' O ' HG13 ' B' ' 11' ' ' ILE . 2.7 ttm -47.91 -66.4 0.41 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.72 -17.11 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.896 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' ALA . . . . . 0.404 ' HB1' ' HA ' ' B' ' 6' ' ' ALA . . . -61.13 -43.68 98.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 0.0 109.767 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.435 ' CD1' ' HB3' ' B' ' 73' ' ' PHE . 0.8 OUTLIER -71.27 -38.63 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.549 178.895 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' ILE . . . . . 0.522 HG13 ' O ' ' B' ' 7' ' ' MET . 2.7 mt -66.53 -33.04 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -51.66 -47.85 63.63 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.62 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 t -55.12 -43.92 72.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.036 178.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -72.06 -28.14 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.899 178.92 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -66.6 -20.78 66.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.946 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.04 -51.9 6.73 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' TYR . . . . . 0.547 ' CE2' HD13 ' B' ' 35' ' ' LEU . 20.4 m-85 -84.6 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' SER . . . . . 0.508 ' CB ' ' CD2' ' B' ' 14' ' ' PHE . 2.0 t -51.94 133.49 32.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.511 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . 0.636 ' HA2' ' HB3' ' B' ' 24' ' ' LYS . . . 58.76 79.77 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.195 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -62.45 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.696 0.284 . . . . 0.0 111.434 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.45 25.61 11.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.074 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.81 -32.42 5.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.431 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.78 -31.63 69.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' LYS . . . . . 0.636 ' HB3' ' HA2' ' B' ' 19' ' ' GLY . 0.1 OUTLIER -97.3 160.63 14.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.099 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' HIS . . . . . 0.586 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 3.5 t-160 -165.37 52.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.776 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 1.4 mtpp -164.11 168.27 19.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LEU . . . . . 0.513 HD22 ' O ' ' B' ' 68' ' ' CYS . 0.5 OUTLIER -132.99 137.91 46.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.789 0.328 . . . . 0.0 110.213 178.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -93.69 179.51 5.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.198 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 20.7 mmtp -52.7 -34.95 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.399 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' SER . . . . . 0.584 ' O ' ' HB3' ' B' ' 34' ' ' GLU . 0.9 OUTLIER -84.04 -37.34 22.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.729 -179.608 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.72 -67.45 0.53 Allowed 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' LEU . . . . . 0.443 ' N ' ' HB3' ' B' ' 27' ' ' LEU . 3.1 tm? -50.72 -61.0 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.098 0.475 . . . . 0.0 111.294 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.428 ' HG3' ' CG1' ' B' ' 53' ' ' VAL . 26.1 ttmt -50.77 -33.65 24.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.267 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.584 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -56.64 -45.32 81.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.042 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LEU . . . . . 0.547 HD13 ' CE2' ' B' ' 17' ' ' TYR . 2.7 mm? -60.04 -44.55 94.59 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 121.444 0.64 . . . . 0.0 110.748 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ILE . . . . . 0.55 ' HA ' HD11 ' B' ' 40' ' ' LEU . 1.7 mt -52.15 -50.96 33.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.724 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.61 -19.45 52.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.718 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 34' ' ' GLU . 57.4 t30 -82.39 -29.3 30.93 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.081 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 35' ' ' LEU . 18.7 mt-10 -117.77 -38.6 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.364 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.55 HD11 ' HA ' ' B' ' 36' ' ' ILE . 1.1 mt -95.09 30.12 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.014 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.26 -32.16 70.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -83.09 -30.5 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.98 85.9 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.156 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 3.8 mp -70.31 71.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -61.53 125.63 24.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.235 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' GLU . . . . . 0.401 ' HB3' ' CH2' ' D' ' 7' ' ' TRP . 0.7 OUTLIER 70.84 10.22 6.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.412 179.776 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' ILE . . . . . 0.515 HG13 ' CG2' ' B' ' 36' ' ' ILE . 4.9 mm -141.23 105.1 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.05 0.453 . . . . 0.0 110.119 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' LYS . . . . . 0.416 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -106.36 -47.7 3.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.088 -179.178 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' GLU . . . . . 0.442 ' O ' ' CG2' ' B' ' 53' ' ' VAL . 24.0 mt-10 -120.78 172.14 8.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.396 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' GLN . . . . . 0.414 ' HA ' HG22 ' B' ' 53' ' ' VAL . 1.2 pt20 -74.25 -33.55 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.876 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.89 -44.54 84.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.527 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' B' ' 56' ' ' VAL . 15.0 m -63.97 -40.68 89.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.663 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' VAL . . . . . 0.489 ' CG2' ' CG2' ' B' ' 47' ' ' ILE . 1.6 t -53.52 -54.85 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.85 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.88 -37.15 41.88 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' LYS . . . . . 0.424 ' HB3' HG12 ' D' ' 10' ' ' ILE . 0.9 OUTLIER -74.34 -34.79 63.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.148 178.191 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' VAL . . . . . 0.496 ' O ' ' HG ' ' B' ' 60' ' ' LEU . 69.8 t -60.98 -62.65 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.697 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' MET . . . . . 0.429 ' HG3' ' N ' ' B' ' 58' ' ' GLU . 0.0 OUTLIER -55.14 -29.7 58.28 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-O 120.995 0.426 . . . . 0.0 110.101 179.093 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' GLU . . . . . 0.429 ' N ' ' HG3' ' B' ' 57' ' ' MET . 1.6 mt-10 -74.98 -31.26 61.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.514 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' THR . . . . . 0.504 ' OG1' ' HB ' ' D' ' 10' ' ' ILE . 58.8 m -72.03 -17.38 62.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.317 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' B' ' 56' ' ' VAL . 0.1 OUTLIER -104.09 -24.04 13.24 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.598 179.324 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -43.98 124.93 4.07 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.545 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -121.03 -40.79 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -162.39 52.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' GLY . . . . . 0.414 ' HA3' ' HE2' ' B' ' 26' ' ' LYS . . . -124.48 0.84 8.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.845 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.21 13.61 9.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.668 0.271 . . . . 0.0 111.245 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.6 -3.52 8.73 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.227 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLU . . . . . 0.468 ' HB3' ' HB3' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -96.7 172.67 7.75 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.971 0.415 . . . . 0.0 110.445 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' CYS . . . . . 0.522 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 0.1 OUTLIER -128.97 85.7 2.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.684 179.617 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' ASP . . . . . 0.544 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 1.1 p-10 -77.52 -156.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.504 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' PHE . . . . . 0.468 ' O ' ' HB2' ' B' ' 73' ' ' PHE . 0.4 OUTLIER -73.36 -44.5 58.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.968 0.413 . . . . 0.0 111.134 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' GLN . . . . . 0.424 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 1.4 pt20 -56.67 -30.08 63.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.962 0.41 . . . . 0.0 110.917 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLU . . . . . 0.522 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 1.5 mm-40 -72.47 -33.16 66.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.269 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' PHE . . . . . 0.468 ' HB2' ' O ' ' B' ' 70' ' ' PHE . 0.5 OUTLIER -55.36 -42.83 74.44 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' MET . . . . . 0.443 ' O ' ' CB ' ' B' ' 78' ' ' ALA . 24.2 mmm -58.83 -58.27 9.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.198 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -55.44 -23.51 25.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' PHE . . . . . 0.472 ' CD1' HD11 ' B' ' 60' ' ' LEU . 20.4 t80 -75.82 -74.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.191 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 1.7 m -58.29 -27.2 32.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.429 -179.695 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' ALA . . . . . 0.443 ' CB ' ' O ' ' B' ' 74' ' ' MET . . . -75.77 -46.01 33.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.077 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 26.7 mtm -76.42 -54.83 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.438 . . . . 0.0 111.267 -179.264 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' VAL . . . . . 0.447 HG13 ' CZ2' ' D' ' 7' ' ' TRP . 94.0 t -53.2 -55.83 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.068 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' THR . . . . . 0.425 ' CG2' ' N ' ' B' ' 82' ' ' THR . 0.6 OUTLIER -63.97 -48.41 76.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.672 -178.831 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' B' ' 81' ' ' THR . 27.5 m -55.17 -20.59 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.54 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.64 -72.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.353 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 p -87.88 -51.05 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.059 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' HIS . . . . . 0.446 ' HA ' ' CA ' ' B' ' 89' ' ' GLU . 2.9 t60 -47.39 -26.27 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.907 0.384 . . . . 0.0 110.685 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -44.56 -64.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.527 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.97 -19.92 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.718 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.461 ' CZ ' ' HB ' ' D' ' 3' ' ' THR . 11.8 m-85 -88.32 -17.78 29.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.902 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' B' ' 90' ' ' HIS . 0.1 OUTLIER 66.02 -72.08 0.08 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.662 0.268 . . . . 0.0 111.079 179.657 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' B' ' 89' ' ' GLU . 1.6 m-70 164.95 116.08 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.274 0.559 . . . . 0.0 110.04 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.927 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -71.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' THR . . . . . 0.46 ' HB ' ' CZ ' ' A' ' 88' ' ' PHE . 10.6 t -98.43 1.68 47.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.297 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' LYS . . . . . 0.539 ' C ' ' CD1' ' C' ' 5' ' ' ILE . 0.0 OUTLIER -85.8 -2.39 58.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.014 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' ILE . . . . . 0.559 ' O ' ' CD1' ' C' ' 7' ' ' TRP . 0.2 OUTLIER 31.31 41.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.629 0.728 . . . . 0.0 111.14 -179.693 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' ASP . . . . . 0.484 ' HB2' ' HD3' ' C' ' 4' ' ' LYS . 4.8 t0 -59.61 78.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.686 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' TRP . . . . . 0.577 ' CE3' HG22 ' C' ' 10' ' ' ILE . 18.8 m0 -79.02 -54.34 6.12 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 177.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' ASN . . . . . 0.466 ' HB3' ' H ' ' C' ' 9' ' ' LYS . 6.4 t-20 178.36 -100.57 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.477 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' LYS . . . . . 0.466 ' H ' ' HB3' ' C' ' 8' ' ' ASN . 0.0 OUTLIER -98.46 -33.16 11.13 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -179.395 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' ILE . . . . . 0.59 HG23 ' N ' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.77 -55.08 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.931 -178.288 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' LEU . . . . . 0.59 ' N ' HG23 ' C' ' 10' ' ' ILE . 3.5 mm? -89.02 -33.5 17.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.551 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' SER . . . . . 0.454 ' OXT' ' CE ' ' C' ' 4' ' ' LYS . 46.0 t . . . . . 0 C--O 1.248 0.996 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.119 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.75 0.309 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -71.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.654 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' THR . . . . . 0.461 ' HB ' ' CZ ' ' B' ' 88' ' ' PHE . 10.7 t -98.44 1.69 47.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.362 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' LYS . . . . . 0.528 ' C ' ' CD1' ' D' ' 5' ' ' ILE . 0.0 OUTLIER -85.84 -2.36 58.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.082 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' ILE . . . . . 0.549 ' O ' ' CD1' ' D' ' 7' ' ' TRP . 0.2 OUTLIER 31.36 41.73 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.585 0.707 . . . . 0.0 111.149 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' ASP . . . . . 0.476 ' HB2' ' HD3' ' D' ' 4' ' ' LYS . 4.8 t0 -59.62 78.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.737 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' TRP . . . . . 0.584 ' CE3' HG22 ' D' ' 10' ' ' ILE . 18.9 m0 -79.05 -54.26 6.19 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' ASN . . . . . 0.448 ' CB ' ' CG2' ' B' ' 59' ' ' THR . 6.4 t-20 178.31 -100.52 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.466 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' LYS . . . . . 0.42 ' H ' ' HB3' ' D' ' 8' ' ' ASN . 0.0 OUTLIER -98.55 -33.14 11.1 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' ILE . . . . . 0.592 HG23 ' N ' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.74 -55.15 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.916 -178.271 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' LEU . . . . . 0.592 ' N ' HG23 ' D' ' 10' ' ' ILE . 3.5 mm? -88.91 -33.52 17.27 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' SER . . . . . 0.458 ' OXT' ' CE ' ' D' ' 4' ' ' LYS . 46.3 t . . . . . 0 C--O 1.248 0.999 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.099 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.783 0.325 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.791 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.4 OUTLIER -60.17 -34.34 73.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.947 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.757 HD22 HD11 ' B' ' 40' ' ' LEU . 3.1 mp -60.37 -26.18 66.43 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.51 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.08 -37.4 22.1 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.359 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -81.97 -40.03 22.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.635 0.255 . . . . 0.0 110.524 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.522 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -64.6 -37.33 87.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.838 0.351 . . . . 0.0 110.427 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.432 ' O ' HG13 ' A' ' 11' ' ' ILE . 5.0 mtt -60.0 -61.03 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.117 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.7 -22.93 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.079 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.827 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -57.17 -41.62 79.6 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.247 0.546 . . . . 0.0 109.632 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.805 HD13 ' HE1' ' A' ' 74' ' ' MET . 3.1 mt -68.99 -48.42 63.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.856 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.883 HD11 ' CE1' ' B' ' 85' ' ' HIS . 7.7 mt -53.69 -53.12 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.368 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.81 -41.05 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.328 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 9' ' ' ALA . 21.9 t -57.36 -45.43 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.346 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -82.3 -35.28 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.774 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.445 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -70.41 -22.37 62.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -84.08 -46.71 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.364 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.455 ' CZ ' ' HG ' ' A' ' 35' ' ' LEU . 5.5 m-85 -82.78 -59.5 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -61.43 124.68 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.203 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.655 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.939 0.399 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.744 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 t60 57.24 37.96 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.062 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.744 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -165.18 149.3 8.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.931 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 2.2 mp -137.47 132.48 33.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.954 0.407 . . . . 0.0 111.607 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -93.06 172.83 8.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.69 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 20.4 mttt -49.39 -28.78 5.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -83.21 -39.75 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.074 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.7 mm-40 -67.62 -45.09 76.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.524 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.22 -63.42 1.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -46.33 -65.14 0.6 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.68 -179.161 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -47.2 -46.37 23.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.21 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.75 HD11 HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -58.54 -46.43 86.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.13 0.49 . . . . 0.0 110.581 179.762 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.73 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.8 mt -59.61 -51.24 75.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.953 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.62 -14.93 63.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.167 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -88.13 -47.31 8.58 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.25 -38.41 12.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.757 HD11 HD22 ' B' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.484 0.183 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.1 mt-10 -94.09 -176.64 4.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.617 0.246 . . . . 0.0 110.535 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -76.31 -40.51 51.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.886 0.374 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.97 -41.88 95.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.3 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.2 m -60.8 -44.43 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.216 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 49' ' ' GLU . 1.5 t -51.73 -51.18 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.627 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -47.39 -45.48 25.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.999 0.428 . . . . 0.0 109.976 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.538 ' HB3' HD13 ' C' ' 10' ' ' ILE . 0.6 OUTLIER -71.39 -35.75 71.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.487 178.507 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 52' ' ' VAL . 98.1 t -59.12 -56.3 17.94 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.06 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.303 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.421 ' HG2' ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -61.46 -26.35 67.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.037 0.446 . . . . 0.0 109.957 179.121 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.32 -31.63 48.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.304 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.756 HG22 ' HB2' ' C' ' 8' ' ' ASN . 8.3 m -64.32 -20.66 66.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.946 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 76' ' ' PHE . 1.2 mp -109.77 -9.82 14.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.458 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.95 102.09 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.899 0.38 . . . . 0.0 111.103 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -114.82 -35.11 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.726 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 -94.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.83 22.45 6.43 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.11 22.81 13.06 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.84 -53.27 0.81 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.943 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.742 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 1.8 pt-20 -148.64 -176.03 5.16 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.615 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.5 m -118.57 121.79 41.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 27' ' ' LEU . 30.1 p30 -93.88 -153.84 0.39 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.222 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.516 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.9 t80 -72.48 -34.91 68.02 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.661 0.267 . . . . 0.0 111.3 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.86 ' HA ' HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -74.16 -25.49 59.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.827 -179.187 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 39.4 mm-40 -79.7 -39.81 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 111.252 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -77.97 -32.93 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.398 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.805 ' HE1' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.23 -42.84 99.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.01 62.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.028 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.733 ' CD1' HD11 ' A' ' 60' ' ' LEU . 25.4 t80 -66.97 -70.73 0.23 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.823 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.474 ' O ' ' HB ' ' A' ' 81' ' ' THR . 1.1 p -48.6 -29.6 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.665 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.92 -46.06 13.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.952 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.88 -55.28 20.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.36 0.6 . . . . 0.0 110.102 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.724 HG22 ' CE2' ' C' ' 7' ' ' TRP . 78.7 t -56.8 -37.45 53.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.923 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 77' ' ' VAL . 8.7 m -78.07 -65.2 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.432 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.847 HG23 ' HA ' ' B' ' 71' ' ' GLN . 34.3 m -44.19 -27.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.466 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' C' ' 5' ' ' ILE . . . -82.3 -66.45 0.89 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -52.25 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.87 ' CE1' HD11 ' B' ' 11' ' ' ILE . 0.1 OUTLIER -48.58 -21.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.474 . . . . 0.0 110.663 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.434 ' HG3' ' CE1' ' B' ' 25' ' ' HIS . 7.0 tt0 -53.96 -64.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.56 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.69 -15.95 11.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.077 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.181 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.761 0.315 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.817 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -60.1 -34.47 73.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.397 0.618 . . . . 0.0 110.96 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.757 HD22 HD11 ' A' ' 40' ' ' LEU . 3.0 mp -60.26 -26.17 66.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.447 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -84.09 -37.37 22.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.615 0.245 . . . . 0.0 111.369 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.582 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -82.03 -39.9 22.84 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.551 179.636 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.522 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -64.68 -37.32 87.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.931 0.396 . . . . 0.0 110.492 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.431 ' O ' HG13 ' B' ' 11' ' ' ILE . 5.0 mtt -60.01 -60.96 2.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.201 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.67 -23.03 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.843 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -57.19 -41.5 79.44 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.248 0.547 . . . . 0.0 109.692 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.883 HD13 ' HE1' ' B' ' 74' ' ' MET . 3.1 mt -69.06 -48.36 63.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.899 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.87 HD11 ' CE1' ' A' ' 85' ' ' HIS . 7.8 mt -53.79 -53.06 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.376 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.85 -41.01 61.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.361 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 9' ' ' ALA . 21.9 t -57.31 -45.45 85.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.371 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.588 ' HD2' HD11 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -82.25 -35.43 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.731 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.444 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.0 OUTLIER -70.27 -22.47 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -84.04 -46.62 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.996 0.427 . . . . 0.0 110.461 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.456 ' CE2' ' HG ' ' B' ' 35' ' ' LEU . 5.5 m-85 -82.95 -59.39 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -61.39 124.64 21.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.541 179.864 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 mttm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.01 0.433 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.737 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 1.4 t60 57.13 38.03 28.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.067 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.737 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -165.17 149.32 8.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.931 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.755 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 2.2 mp -137.49 132.53 33.42 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 111.621 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' B' ' 67' ' ' GLU . 11.6 pttm -93.1 172.86 8.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.667 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 20.3 mttt -49.41 -28.85 5.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.277 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -83.09 -39.72 20.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.188 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.7 mm-40 -67.62 -45.11 76.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.489 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.19 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.519 ' HD3' ' H ' ' B' ' 33' ' ' LYS . 0.8 OUTLIER -46.38 -65.1 0.6 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.684 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -47.17 -46.46 23.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.138 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.756 HD11 HG12 ' B' ' 13' ' ' VAL . 0.3 OUTLIER -58.46 -46.46 86.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.153 0.501 . . . . 0.0 110.625 179.763 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.723 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.8 mt -59.54 -51.35 73.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.056 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.54 -14.88 63.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.183 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -88.09 -47.3 8.6 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.3 -38.42 12.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.21 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.757 HD11 HD22 ' A' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.404 ' HB2' ' H ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.408 0.147 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.624 ' O ' HG23 ' B' ' 53' ' ' VAL . 2.1 mt-10 -94.19 -176.64 4.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.694 0.283 . . . . 0.0 110.483 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -76.36 -40.52 50.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.96 -41.82 95.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.273 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.745 ' O ' HG23 ' B' ' 56' ' ' VAL . 18.3 m -60.69 -44.63 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.187 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 49' ' ' GLU . 1.5 t -51.6 -51.24 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -47.44 -45.39 25.64 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.047 0.451 . . . . 0.0 110.022 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.548 ' HB3' HD13 ' D' ' 10' ' ' ILE . 0.6 OUTLIER -71.4 -35.83 71.15 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.443 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 52' ' ' VAL . 98.1 t -59.11 -56.2 18.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.412 ' HG2' ' HE3' ' B' ' 33' ' ' LYS . 0.1 OUTLIER -61.6 -26.28 67.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.998 0.428 . . . . 0.0 109.92 179.135 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.3 -31.69 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.293 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.778 HG22 ' HB2' ' D' ' 8' ' ' ASN . 8.3 m -64.21 -20.73 66.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.966 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.732 HD11 ' CD1' ' B' ' 76' ' ' PHE . 1.2 mp -109.77 -9.77 14.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.475 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.94 102.11 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -114.9 -35.07 4.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.709 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.37 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.975 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.79 22.48 6.44 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.0 23.01 13.21 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.97 -53.25 0.81 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.936 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.755 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 1.8 pt-20 -148.63 -175.99 5.15 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.68 0.24 . . . . 0.0 110.394 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.615 ' O ' HD12 ' B' ' 27' ' ' LEU . 1.5 m -118.59 121.83 41.14 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.731 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.489 ' HA ' HD12 ' B' ' 27' ' ' LEU . 30.1 p30 -93.8 -153.85 0.38 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.222 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.521 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 4.9 t80 -72.5 -34.91 67.97 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.693 0.283 . . . . 0.0 111.315 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.847 ' HA ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -74.19 -25.54 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.77 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.403 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 39.8 mm-40 -79.6 -39.86 30.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.235 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -77.94 -33.0 51.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.376 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.883 ' HE1' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -62.18 -42.81 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 0.0 109.984 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.0 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.032 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.732 ' CD1' HD11 ' B' ' 60' ' ' LEU . 25.3 t80 -66.92 -70.76 0.23 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.813 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.464 ' O ' ' HB ' ' B' ' 81' ' ' THR . 1.1 p -48.7 -29.58 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.621 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.96 -45.95 13.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.929 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.93 -55.31 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.431 0.634 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.715 HG22 ' CE2' ' D' ' 7' ' ' TRP . 79.4 t -56.73 -37.52 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.935 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' B' ' 77' ' ' VAL . 8.7 m -78.02 -65.18 1.01 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.443 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.86 HG23 ' HA ' ' A' ' 71' ' ' GLN . 33.9 m -44.17 -27.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.531 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' D' ' 5' ' ' ILE . . . -82.36 -66.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 -52.11 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.883 ' CE1' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -48.69 -21.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.084 0.469 . . . . 0.0 110.569 179.453 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.437 ' HG3' ' CE1' ' A' ' 25' ' ' HIS . 7.0 tt0 -53.9 -64.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.612 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.73 -15.95 11.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.159 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.755 0.312 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 3' ' ' THR . . . . . 0.462 HG22 ' O ' ' C' ' 3' ' ' THR . 51.0 m -98.59 -1.23 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.67 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.847 ' O ' HD12 ' C' ' 5' ' ' ILE . 2.2 tmtt? -85.95 -0.87 56.56 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.722 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 0.847 HD12 ' O ' ' C' ' 4' ' ' LYS . 2.2 pp 57.15 -14.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.354 1.061 . . . . 0.0 113.82 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' C' ' 4' ' ' LYS . 23.5 t0 69.09 -10.11 0.55 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 177.059 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.811 ' HE3' HG21 ' C' ' 10' ' ' ILE . 6.9 m0 -50.89 -70.35 0.09 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.989 0.813 . . . . 0.0 109.567 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.756 ' HB2' HG22 ' A' ' 59' ' ' THR . 1.3 m120 150.36 -93.43 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 177.633 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.737 ' H ' HG23 ' A' ' 59' ' ' THR . 1.8 tmmm? -97.29 -36.83 10.28 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.811 HG21 ' HE3' ' C' ' 7' ' ' TRP . 1.5 tp -52.76 -60.07 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 O-C-N 122.283 -0.26 . . . . 0.0 111.433 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.671 ' H ' HG23 ' C' ' 10' ' ' ILE . 11.2 mt -93.39 -29.27 15.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.202 0.525 . . . . 0.0 109.9 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 7.4 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.825 0.345 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -58.52 -71.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.048 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 3' ' ' THR . . . . . 0.466 HG22 ' O ' ' D' ' 3' ' ' THR . 51.2 m -98.59 -1.11 41.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.551 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 0.837 ' O ' HD12 ' D' ' 5' ' ' ILE . 2.2 tmtt? -86.1 -0.86 56.65 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.607 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 0.837 HD12 ' O ' ' D' ' 4' ' ' LYS . 2.2 pp 57.22 -14.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.325 1.05 . . . . 0.0 113.747 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' D' ' 4' ' ' LYS . 23.5 t0 69.15 -10.1 0.55 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 177.099 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.81 ' HE3' HG21 ' D' ' 10' ' ' ILE . 6.9 m0 -50.9 -70.28 0.09 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.085 0.857 . . . . 0.0 109.575 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.778 ' HB2' HG22 ' B' ' 59' ' ' THR . 1.3 m120 150.38 -93.57 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 9' ' ' LYS . . . . . 0.725 ' H ' HG23 ' B' ' 59' ' ' THR . 1.8 tmmm? -97.23 -36.79 10.32 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.81 HG21 ' HE3' ' D' ' 7' ' ' TRP . 1.6 tp -52.74 -60.08 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 122.405 -0.184 . . . . 0.0 111.467 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.687 ' H ' HG23 ' D' ' 10' ' ' ILE . 11.2 mt -93.38 -29.32 15.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.195 0.521 . . . . 0.0 109.894 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 7.2 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.802 0.334 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.814 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.6 OUTLIER -61.97 -35.93 79.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.194 0.521 . . . . 0.0 110.847 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.701 HD13 ' HA ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -47.33 -44.47 23.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.567 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -80.71 -39.58 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.923 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 3.1 mppt? -59.74 -49.14 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.811 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' B' ' 6' ' ' ALA . . . -64.96 -47.85 76.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -56.49 -49.81 73.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 11' ' ' ILE . 24.7 t -78.78 -21.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.595 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.784 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -63.29 -39.13 93.72 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.467 0.651 . . . . 0.0 109.276 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB3' ' HE1' ' A' ' 73' ' ' PHE . 5.4 mt -68.98 -48.49 62.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.746 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 8' ' ' VAL . 18.1 mt -63.88 -40.15 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -38.17 67.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 9' ' ' ALA . 24.2 t -63.64 -55.96 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.74 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -72.65 -28.68 62.88 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.323 -179.393 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.495 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.4 t-80 -70.69 -20.72 62.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 111.204 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -41.56 16.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.626 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.692 ' CD1' HD11 ' A' ' 35' ' ' LEU . 1.8 m-85 -83.19 -56.99 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.38 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.649 ' HB3' HD11 ' A' ' 27' ' ' LEU . 18.4 p -49.6 -44.02 46.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.376 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.256 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.143 -179.813 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.897 0.38 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.447 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 2.3 t-160 -179.88 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.038 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.954 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -111.32 159.6 17.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.259 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.954 HD13 ' O ' ' A' ' 26' ' ' LYS . 1.3 mm? -134.97 133.9 39.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.833 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.36 174.36 9.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.439 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -52.0 -27.87 14.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -82.96 -36.65 24.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.747 ' O ' HD22 ' A' ' 35' ' ' LEU . 36.3 mm-40 -72.6 -64.13 1.02 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.749 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.579 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -48.26 -46.9 36.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.671 ' CE ' HG12 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -55.74 -38.8 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.936 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 3.1 mm-40 -62.7 -58.92 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.417 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.747 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.2 mm? -46.24 -35.52 5.3 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.022 0.439 . . . . 0.0 111.479 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.86 HG23 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -56.75 -63.72 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -71.22 -11.02 60.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.535 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 22.5 t30 -91.97 -18.95 22.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.501 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -147.64 50.01 1.07 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.407 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.86 HD12 HG23 ' A' ' 36' ' ' ILE . 72.6 mt . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 110.844 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.636 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.566 0.222 . . . . 0.0 111.522 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 53' ' ' VAL . 4.1 tt0 -166.94 173.01 9.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.913 0.387 . . . . 0.0 110.755 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -73.67 -36.16 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.94 90.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.391 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.899 ' O ' HG23 ' A' ' 56' ' ' VAL . 34.4 m -63.22 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.349 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 49' ' ' GLU . 2.6 t -54.1 -56.73 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 120.693 0.282 . . . . 0.0 111.004 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.08 -40.0 44.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.025 0.44 . . . . 0.0 110.045 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HB3' ' CG1' ' C' ' 10' ' ' ILE . 1.6 ttmm -73.84 -30.6 62.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.724 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 52' ' ' VAL . 93.3 t -65.0 -59.12 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.986 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -60.96 -28.41 68.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.022 0.439 . . . . 0.0 109.935 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.91 -31.71 51.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.366 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.812 HG23 ' H ' ' C' ' 9' ' ' LYS . 35.0 m -76.67 -16.58 59.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.709 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.024 HD11 ' CD1' ' A' ' 76' ' ' PHE . 12.4 mt -101.06 -9.61 21.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.353 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -38.83 99.28 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.0 0.429 . . . . 0.0 111.695 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -72.95 -8.64 56.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.275 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER 80.18 30.01 0.24 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.913 0.387 . . . . 0.0 110.531 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.24 -36.65 8.74 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.441 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -173.24 37.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.4 18.13 42.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.656 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.63 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -139.63 -174.47 3.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 27' ' ' LEU . 34.8 m -109.43 118.58 37.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.717 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -101.17 -167.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.63 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.646 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -73.1 -12.61 60.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 111.212 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -82.48 -30.31 29.99 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.621 ' OE1' HD13 ' A' ' 60' ' ' LEU . 2.7 pp20? -82.09 -35.66 28.4 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.646 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.63 -27.63 40.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.622 0.249 . . . . 0.0 110.918 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 34.4 mmm -69.38 -54.42 14.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.876 0.369 . . . . 0.0 110.119 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -64.03 -24.5 67.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.39 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 1.024 ' CD1' HD11 ' A' ' 60' ' ' LEU . 85.8 t80 -62.1 -74.9 0.08 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.158 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 81' ' ' THR . 4.0 m -44.78 -30.5 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.649 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.53 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.02 -34.3 22.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.102 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.707 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -82.78 -40.98 19.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 111.331 -179.355 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.811 HG21 ' CE1' ' A' ' 76' ' ' PHE . 60.1 t -70.32 -36.72 68.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 5.7 t -73.24 -47.49 42.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 78' ' ' ALA . 6.3 p -53.18 -30.06 35.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.576 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' C' ' 5' ' ' ILE . . . -75.89 -69.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.662 ' HB2' HG22 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -87.0 -55.1 3.98 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.692 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' A' ' 81' ' ' THR . 3.2 t-160 -44.65 -27.45 0.49 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.159 0.504 . . . . 0.0 110.751 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 82' ' ' THR . 33.5 tp10 -45.08 -65.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.817 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.68 -27.15 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.789 0.328 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.784 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -62.07 -35.94 80.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.216 0.531 . . . . 0.0 110.776 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.718 HD13 ' HA ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -47.36 -44.52 24.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.576 -179.701 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.425 ' O ' HG23 ' B' ' 8' ' ' VAL . 0.7 OUTLIER -80.57 -39.58 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.959 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 3.1 mppt? -59.79 -49.11 78.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.408 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . . . -64.93 -47.94 75.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -56.5 -49.77 73.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.075 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.547 ' HA ' HD12 ' B' ' 11' ' ' ILE . 24.8 t -78.83 -21.97 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.536 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -63.28 -39.07 93.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.527 0.68 . . . . 0.0 109.357 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.435 ' HB3' ' HE1' ' B' ' 73' ' ' PHE . 5.4 mt -69.01 -48.58 62.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.708 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' B' ' 8' ' ' VAL . 18.1 mt -63.86 -40.06 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.82 -38.11 66.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 9' ' ' ALA . 24.3 t -63.71 -55.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.787 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.617 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -72.53 -28.75 63.04 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.35 -179.486 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.498 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 6.4 t-80 -70.58 -20.84 62.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.222 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.45 -41.45 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.608 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.695 ' CD1' HD11 ' B' ' 35' ' ' LEU . 1.8 m-85 -83.15 -57.1 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.328 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.637 ' HB3' HD11 ' B' ' 27' ' ' LEU . 18.8 p -49.59 -44.0 46.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.324 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.235 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.069 -179.822 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.957 0.408 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.424 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 2.3 t-160 -179.92 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.009 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.938 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -111.29 159.59 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 -179.606 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.938 HD13 ' O ' ' B' ' 26' ' ' LYS . 1.3 mm? -134.89 133.93 40.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.001 0.429 . . . . 0.0 110.783 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.38 174.26 9.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.434 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -51.9 -27.8 14.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -83.02 -36.74 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.68 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.739 ' O ' HD22 ' B' ' 35' ' ' LEU . 36.5 mm-40 -72.56 -64.17 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.706 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.574 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.8 tm? -48.18 -46.92 35.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.185 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.667 ' CE ' HG12 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -55.73 -38.75 70.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.989 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.466 ' CB ' ' CE2' ' B' ' 17' ' ' TYR . 3.1 mm-40 -62.64 -58.99 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.358 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.739 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.2 mm? -46.28 -35.53 5.38 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 120.955 0.407 . . . . 0.0 111.463 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.845 HG23 HD12 ' B' ' 40' ' ' LEU . 1.0 OUTLIER -56.7 -63.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.942 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.16 -11.02 60.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.525 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.477 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 22.4 t30 -92.01 -18.92 22.96 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.263 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.518 ' O ' HD23 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -147.75 50.04 1.06 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.358 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.845 HD12 HG23 ' B' ' 36' ' ' ILE . 72.4 mt . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 110.925 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.637 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 120.573 0.225 . . . . 0.0 111.52 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.699 ' O ' HG23 ' B' ' 53' ' ' VAL . 4.1 tt0 -166.91 173.0 9.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.814 0.34 . . . . 0.0 110.789 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -73.61 -36.19 65.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.91 90.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.383 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 56' ' ' VAL . 34.3 m -63.25 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.384 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 49' ' ' GLU . 2.6 t -54.13 -56.67 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-O 120.655 0.264 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.03 -40.14 43.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 110.065 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.406 ' HB3' ' CG1' ' D' ' 10' ' ' ILE . 1.6 ttmm -73.74 -30.56 62.88 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.797 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.921 HG23 ' O ' ' B' ' 52' ' ' VAL . 93.6 t -65.02 -59.12 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.998 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -61.09 -28.24 68.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.0 0.428 . . . . 0.0 109.942 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.96 -31.75 51.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.333 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.811 HG23 ' H ' ' D' ' 9' ' ' LYS . 36.2 m -76.62 -16.55 59.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.732 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 1.017 HD11 ' CD1' ' B' ' 76' ' ' PHE . 12.2 mt -101.1 -9.7 21.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.304 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -38.73 99.21 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.981 0.419 . . . . 0.0 111.706 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' B' ' 63' ' ' ASP . 0.2 OUTLIER -72.82 -8.7 56.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.338 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' B' ' 62' ' ' ASN . 0.8 OUTLIER 80.07 30.17 0.25 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.986 0.422 . . . . 0.0 110.541 -179.56 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.36 -36.61 8.69 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.335 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -173.18 37.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.51 18.14 43.09 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.636 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.7 OUTLIER -139.68 -174.52 3.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' B' ' 27' ' ' LEU . 34.8 m -109.52 118.49 36.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.697 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -101.1 -167.75 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.59 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.647 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -73.13 -12.54 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 111.236 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -82.52 -30.39 29.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.929 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.633 ' OE1' HD13 ' B' ' 60' ' ' LEU . 2.7 pp20? -82.09 -35.59 28.45 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.647 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -79.61 -27.58 41.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.638 0.256 . . . . 0.0 110.994 -179.339 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.511 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 34.4 mmm -69.37 -54.47 14.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.877 0.37 . . . . 0.0 110.078 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -64.11 -24.41 67.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.382 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 1.017 ' CD1' HD11 ' B' ' 60' ' ' LEU . 85.8 t80 -62.23 -74.86 0.08 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.109 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.439 ' O ' ' CG2' ' B' ' 81' ' ' THR . 4.0 m -44.79 -30.51 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.539 ' O ' HG23 ' B' ' 82' ' ' THR . . . -84.94 -34.4 22.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.077 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.707 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 0.7 OUTLIER -82.71 -41.02 19.81 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.023 0.44 . . . . 0.0 111.289 -179.254 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.807 HG21 ' CE1' ' B' ' 76' ' ' PHE . 60.0 t -70.35 -36.73 68.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 77' ' ' VAL . 5.7 t -73.21 -47.41 43.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.799 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.539 HG23 ' O ' ' B' ' 78' ' ' ALA . 6.3 p -53.29 -29.94 36.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.573 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.443 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -75.97 -69.64 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.643 ' HB2' HG22 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -87.04 -54.96 4.04 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.652 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.433 ' HB3' ' O ' ' B' ' 81' ' ' THR . 3.2 t-160 -44.7 -27.49 0.5 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.081 0.467 . . . . 0.0 110.683 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 82' ' ' THR . 33.5 tp10 -45.08 -65.35 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.774 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.66 -27.15 6.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.037 179.818 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.742 0.306 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 3' ' ' THR . . . . . 0.58 ' O ' HD13 ' C' ' 5' ' ' ILE . 11.0 t -99.6 -9.51 23.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.52 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.689 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.8 OUTLIER -81.34 -2.03 47.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.73 0.3 . . . . 0.0 111.029 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 0.766 HD11 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER 49.8 6.77 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 123.347 0.659 . . . . 0.0 112.591 -179.085 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' C' ' 4' ' ' LYS . 23.6 t0 48.22 43.31 18.71 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.721 ' NE1' HG13 ' A' ' 80' ' ' VAL . 11.6 m95 -83.21 -69.79 0.61 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.178 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' C' ' 12' ' ' SER . 0.7 OUTLIER 154.79 -89.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.123 178.777 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.812 ' H ' HG23 ' A' ' 59' ' ' THR . 3.5 tmtm? -97.27 -49.37 4.97 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 -179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.865 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.26 -48.53 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -177.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.865 HD23 HG23 ' C' ' 10' ' ' ILE . 3.1 mm? -92.41 -32.97 14.73 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 11.4 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.194 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 1' ' ' THR . . . . . 0.914 HG22 ' HB2' ' D' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.757 0.313 . . . . 0.0 111.302 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -94.04 -71.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.711 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 3' ' ' THR . . . . . 0.582 ' O ' HD13 ' D' ' 5' ' ' ILE . 11.0 t -99.62 -9.57 23.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.585 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 0.703 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.8 OUTLIER -81.43 -2.0 47.85 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.009 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 0.768 HD11 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER 49.85 6.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 123.209 0.604 . . . . 0.0 112.618 -179.143 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.914 ' HB2' HG22 ' D' ' 1' ' ' THR . 23.5 t0 48.15 43.28 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.732 ' NE1' HG13 ' B' ' 80' ' ' VAL . 11.6 m95 -83.16 -69.78 0.61 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.239 177.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.487 ' O ' ' HA ' ' D' ' 12' ' ' SER . 0.7 OUTLIER 154.8 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.06 178.725 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 9' ' ' LYS . . . . . 0.811 ' H ' HG23 ' B' ' 59' ' ' THR . 3.5 tmtm? -97.33 -49.25 5.0 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.863 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.24 -48.6 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.033 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.863 HD23 HG23 ' D' ' 10' ' ' ILE . 3.1 mm? -92.42 -32.92 14.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 11.2 p . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.285 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.922 0.392 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.71 -24.23 63.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.819 HD13 HD21 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -59.97 -43.69 94.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.566 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -73.45 -33.59 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.73 -55.89 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -59.26 -41.38 88.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.403 ' CE ' HG12 ' B' ' 77' ' ' VAL . 5.1 mtm -58.49 -53.18 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.817 ' HA ' HG13 ' A' ' 11' ' ' ILE . 24.6 t -72.35 -26.3 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.224 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.53 -37.89 89.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.209 0.528 . . . . 0.0 109.835 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.444 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 4.8 mt -66.63 -41.82 87.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.67 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.945 HG23 ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -70.94 -40.22 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.407 179.47 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.59 -37.81 13.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.123 0.487 . . . . 0.0 110.026 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 9' ' ' ALA . 2.6 t -75.32 -44.97 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.113 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -67.15 -26.98 66.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.878 0.371 . . . . 0.0 110.584 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -81.74 -22.33 37.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -78.43 -40.96 34.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.021 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 3.0 m-85 -82.92 -59.61 2.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.881 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB2' HD13 ' A' ' 27' ' ' LEU . 17.8 t -70.5 119.46 14.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.586 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 1.9 t-80 63.57 52.12 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.623 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -176.39 157.29 1.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.335 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 26' ' ' LYS . 2.7 mm? -134.58 136.66 43.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.617 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -117.02 -175.57 2.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.503 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HA ' ' HG3' ' A' ' 33' ' ' LYS . 2.4 mttp -58.1 -29.99 65.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -54.3 7.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.32 -60.5 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.366 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.5 tm? -44.35 -67.45 0.28 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.88 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HG3' ' HA ' ' A' ' 29' ' ' LYS . 72.7 mttt -51.61 -57.48 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 111.512 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.09 -35.17 59.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.751 0.31 . . . . 0.0 110.486 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.683 HD23 ' O ' ' A' ' 35' ' ' LEU . 1.8 tt -62.18 -40.22 95.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.126 0.488 . . . . 0.0 110.26 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.779 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.1 mt -52.41 -67.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.006 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -58.09 -18.68 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.444 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -81.06 -41.58 22.37 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.89 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -139.57 51.05 1.75 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 36' ' ' ILE . 85.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.869 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.698 0.285 . . . . 0.0 111.668 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.682 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.4 tp10 179.77 174.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.542 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.51 -24.74 63.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.917 0.389 . . . . 0.0 110.693 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.75 -40.61 40.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.33 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.869 HG11 ' HB2' ' A' ' 48' ' ' LYS . 2.7 m -63.0 -43.8 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.074 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -58.93 -52.48 60.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.029 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -47.66 -37.19 12.31 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.106 0.479 . . . . 0.0 109.965 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.494 ' HB3' HG12 ' C' ' 10' ' ' ILE . 0.8 OUTLIER -79.61 -37.49 36.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.089 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.5 t -54.2 -54.94 17.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.651 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -36.49 70.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -36.55 81.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.103 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.459 HG23 ' H ' ' C' ' 9' ' ' LYS . 0.2 OUTLIER -63.05 -23.99 67.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.278 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.613 HD11 ' CD1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -89.31 -29.83 18.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.776 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.51 100.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.348 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.45 -39.44 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.37 42.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.441 ' CA ' ' HE2' ' A' ' 26' ' ' LYS . . . -101.35 5.44 55.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.663 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t0 71.87 24.12 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.51 -33.8 4.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.779 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.516 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -105.59 -177.12 3.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.919 0.39 . . . . 0.0 110.55 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.582 ' HA ' ' HG3' ' A' ' 72' ' ' GLU . 14.2 m -114.78 112.84 23.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.604 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.475 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -100.63 -173.57 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.363 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.945 ' CD1' HG23 ' A' ' 11' ' ' ILE . 55.0 t80 -52.81 -32.09 42.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.126 0.489 . . . . 0.0 111.446 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.7 -38.93 76.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.582 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 2.8 mm-40 -75.58 -27.0 58.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.534 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.857 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -51.26 -53.72 32.85 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.18 0.514 . . . . 0.0 109.794 179.042 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.533 ' HG3' HG21 ' B' ' 81' ' ' THR . 18.5 mmt -61.67 -52.86 62.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.057 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.84 -38.97 52.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.118 0.485 . . . . 0.0 110.701 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.613 ' CD1' HD11 ' A' ' 60' ' ' LEU . 52.8 t80 -66.57 -72.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.736 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 73' ' ' PHE . 1.1 m -52.44 -26.25 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.439 ' HA ' ' HB3' ' B' ' 74' ' ' MET . . . -81.39 -51.65 8.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.912 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.4 mtm -65.35 -46.32 80.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.156 0.503 . . . . 0.0 110.18 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.818 HG22 ' CE2' ' C' ' 7' ' ' TRP . 59.9 t -60.81 -35.07 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.561 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 85' ' ' HIS . 1.6 m -71.57 -57.7 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.086 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.0 p -48.05 -25.98 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -81.75 -72.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.555 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.712 ' HB3' HG22 ' C' ' 5' ' ' ILE . 7.8 p -88.85 -51.92 5.38 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.65 ' HB3' HG23 ' A' ' 81' ' ' THR . 3.6 t60 -53.31 -18.0 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.824 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.73 -64.37 0.71 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.36 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -28.46 4.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 51.2 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.488 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.846 0.355 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.0 -24.18 64.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.724 HD13 HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -59.88 -43.79 94.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.567 ' O ' HG23 ' B' ' 8' ' ' VAL . 0.4 OUTLIER -73.37 -33.61 65.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -55.76 11.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -59.35 -41.46 89.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtm -58.38 -53.17 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.798 ' HA ' HG13 ' B' ' 11' ' ' ILE . 24.8 t -72.45 -26.24 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.548 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.51 -37.96 89.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.205 0.526 . . . . 0.0 109.847 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.444 ' O ' ' CE2' ' B' ' 73' ' ' PHE . 4.8 mt -66.69 -41.66 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.69 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.96 HG23 ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -70.93 -40.25 76.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.442 179.386 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.68 -37.77 13.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.12 0.486 . . . . 0.0 109.949 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.553 ' CG1' HD21 ' B' ' 35' ' ' LEU . 2.6 t -75.33 -45.0 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.037 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -67.11 -27.0 66.97 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.886 0.374 . . . . 0.0 110.626 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -81.76 -22.25 37.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.053 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -78.43 -40.87 34.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.005 0.431 . . . . 0.0 110.056 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' B' ' 35' ' ' LEU . 3.0 m-85 -82.9 -59.65 2.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.937 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.457 ' HB2' HD13 ' B' ' 27' ' ' LEU . 18.0 t -70.5 119.46 14.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.605 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.821 0.344 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.46 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 1.9 t-80 63.52 52.13 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.468 . . . . 0.0 110.973 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.618 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -176.32 157.26 1.7 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.343 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.618 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.7 mm? -134.55 136.6 43.14 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.623 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.7 OUTLIER -116.95 -175.47 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.503 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' HA ' ' HG3' ' B' ' 33' ' ' LYS . 2.4 mttp -58.15 -29.92 65.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -54.37 7.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.29 -60.47 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.385 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.491 ' C ' HD13 ' B' ' 32' ' ' LEU . 2.5 tm? -44.35 -67.49 0.28 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.865 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' B' ' 29' ' ' LYS . 72.7 mttt -51.63 -57.39 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.508 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.18 -35.1 59.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 110.525 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.674 HD23 ' O ' ' B' ' 35' ' ' LEU . 1.7 tt -62.21 -40.22 95.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.142 0.496 . . . . 0.0 110.287 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.8 ' HA ' HD12 ' B' ' 40' ' ' LEU . 3.1 mt -52.38 -67.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.974 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -57.99 -18.76 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.461 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -81.02 -41.62 22.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.89 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -139.53 50.98 1.76 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.819 HD21 HD13 ' A' ' 3' ' ' LEU . 83.6 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.844 ' HB2' HG11 ' B' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.725 0.298 . . . . 0.0 111.672 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.688 ' O ' HG23 ' B' ' 53' ' ' VAL . 2.4 tp10 179.71 174.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.549 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.44 -24.78 63.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.915 0.388 . . . . 0.0 110.634 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.74 -40.65 40.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.304 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.844 HG11 ' HB2' ' B' ' 48' ' ' LYS . 2.7 m -63.04 -43.82 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.975 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.688 HG23 ' O ' ' B' ' 49' ' ' GLU . 0.6 OUTLIER -58.89 -52.43 60.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.065 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -47.74 -37.11 12.62 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.101 0.477 . . . . 0.0 109.959 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.492 ' HB3' HG12 ' D' ' 10' ' ' ILE . 0.8 OUTLIER -79.63 -37.48 35.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.003 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.766 HG23 ' O ' ' B' ' 52' ' ' VAL . 53.6 t -54.22 -54.92 17.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.679 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -36.56 70.8 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.45 81.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.157 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.466 HG23 ' H ' ' D' ' 9' ' ' LYS . 0.2 OUTLIER -63.2 -23.93 67.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.251 179.375 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' B' ' 76' ' ' PHE . 0.4 OUTLIER -89.34 -29.87 18.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.773 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.55 100.95 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.295 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.45 -39.45 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.528 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.34 42.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.488 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.44 ' CA ' ' HE2' ' B' ' 26' ' ' LYS . . . -101.29 5.46 55.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.684 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t0 71.91 24.09 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.53 -33.79 4.18 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.848 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.517 ' HB3' ' CG ' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -105.54 -177.11 3.27 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.85 0.357 . . . . 0.0 110.623 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.558 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 14.0 m -114.8 112.83 23.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.466 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -100.65 -173.6 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.96 ' CD1' HG23 ' B' ' 11' ' ' ILE . 56.6 t80 -52.82 -31.92 41.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.971 0.415 . . . . 0.0 111.496 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.82 -38.98 76.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.558 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 2.8 mm-40 -75.45 -27.12 58.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.538 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.863 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -51.33 -53.78 32.74 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.094 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.567 ' HG3' HG21 ' A' ' 81' ' ' THR . 18.6 mmt -61.59 -52.9 62.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.022 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.88 -38.93 52.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.042 0.448 . . . . 0.0 110.681 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.602 ' CD1' HD11 ' B' ' 60' ' ' LEU . 52.7 t80 -66.52 -72.82 0.15 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.761 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.863 HG22 ' O ' ' B' ' 73' ' ' PHE . 1.1 m -52.45 -26.22 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.259 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 74' ' ' MET . . . -81.34 -51.74 8.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.929 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 47.6 mtm -65.27 -46.37 80.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.148 0.499 . . . . 0.0 110.227 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.818 HG22 ' CE2' ' D' ' 7' ' ' TRP . 58.7 t -60.77 -34.97 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.544 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.662 HG23 ' HB3' ' B' ' 85' ' ' HIS . 1.5 m -71.49 -58.02 3.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.4 p -47.92 -25.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -81.91 -72.21 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.524 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.707 ' HB3' HG22 ' D' ' 5' ' ' ILE . 7.8 p -88.86 -52.03 5.32 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.662 ' HB3' HG23 ' B' ' 81' ' ' THR . 3.7 t60 -53.25 -17.98 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.852 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.58 -64.36 0.71 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.404 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.87 -28.38 4.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.137 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.376 179.144 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 9.0 mpt_? . . . . . 0 N--CA 1.46 0.035 0 CA-C-O 120.924 0.392 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.18 1.3 44.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 1.012 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -78.92 -2.33 39.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.045 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 1.012 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 35.15 35.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-O 121.137 0.494 . . . . 0.0 111.333 -179.65 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -54.4 83.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.694 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.835 ' CD2' HD23 ' C' ' 11' ' ' LEU . 46.1 m0 -73.73 -62.16 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.259 0.552 . . . . 0.0 109.727 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.489 ' O ' ' HA ' ' C' ' 12' ' ' SER . 25.2 t-20 -178.64 -84.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.395 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.459 ' H ' HG23 ' A' ' 59' ' ' THR . 2.1 tmtm? -97.6 -50.68 4.4 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 1.027 HG23 HD22 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.78 -59.84 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.054 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 1.027 HD22 HG23 ' C' ' 10' ' ' ILE . 1.2 mm? -88.12 -11.85 45.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.07 -0.394 . . . . 0.0 110.5 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 39.8 t . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.193 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.576 0.227 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 2' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 9.0 mpt_? -49.69 -71.73 0.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.863 0.363 . . . . 0.0 110.538 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.22 1.41 44.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 1.003 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -79.04 -2.36 40.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.951 179.734 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 1.003 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 35.15 35.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.182 0.515 . . . . 0.0 111.369 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -54.46 83.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.718 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.841 ' CD2' HD23 ' D' ' 11' ' ' LEU . 46.0 m0 -73.69 -62.23 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.263 0.554 . . . . 0.0 109.757 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.485 ' O ' ' HA ' ' D' ' 12' ' ' SER . 25.3 t-20 -178.47 -84.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.416 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 9' ' ' LYS . . . . . 0.466 ' H ' HG23 ' B' ' 59' ' ' THR . 2.1 tmtm? -97.58 -50.71 4.39 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.997 HG23 HD22 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.79 -59.81 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.005 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.997 HD22 HG23 ' D' ' 10' ' ' ILE . 1.2 mm? -88.06 -11.86 45.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.072 -0.393 . . . . 0.0 110.576 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 40.1 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.037 -0.982 . . . . 0.0 111.277 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.756 0.313 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.488 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 5.5 pt-20 -55.4 -37.35 67.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.114 0.483 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.705 HD22 HD21 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -46.48 -41.49 14.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.318 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 8' ' ' VAL . 3.7 pt-20 -84.13 -28.74 27.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.027 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 8.7 mtpt -71.52 -43.94 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -48.46 73.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.565 ' SD ' HG13 ' B' ' 77' ' ' VAL . 7.7 mtm -59.32 -46.63 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 4' ' ' GLU . 24.8 t -78.12 -25.12 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.675 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -64.0 -38.37 90.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.482 0.658 . . . . 0.0 109.369 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.64 -66.5 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.027 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.565 ' CG2' ' HA ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -42.43 -38.57 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.048 179.642 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -53.6 -49.28 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.548 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG12 ' HG ' ' A' ' 35' ' ' LEU . 36.8 t -57.26 -41.27 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.517 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.698 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -77.79 -29.54 50.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.448 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.3 t60 -83.6 -15.87 47.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.105 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -48.74 14.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.841 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.4 m-85 -83.86 -55.02 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.677 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.26 117.36 3.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.897 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.903 0.382 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -178.18 -28.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.698 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.32 160.56 16.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.83 0.348 . . . . 0.0 110.113 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 68' ' ' CYS . 3.1 mm? -122.44 138.05 54.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.149 0.5 . . . . 0.0 110.103 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -113.63 -177.6 3.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.436 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HB3' ' CE ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -51.05 -41.27 59.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.908 179.763 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.2 p -63.97 -55.59 21.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.461 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.803 ' O ' HD22 ' A' ' 35' ' ' LEU . 5.1 mt-10 -68.55 -68.0 0.43 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.734 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -41.35 -69.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.921 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.671 ' HG2' HG11 ' A' ' 53' ' ' VAL . 95.0 mttt -42.89 -43.68 4.19 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 111.458 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -53.05 -54.67 32.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.713 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.841 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.5 mm? -51.68 -35.36 42.24 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.936 0.398 . . . . 0.0 111.714 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.792 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -58.92 -47.73 88.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.013 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -88.1 -8.6 55.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.489 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 35.4 t30 -92.62 -25.07 18.46 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.7 pt-20 -151.04 53.21 0.86 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 36' ' ' ILE . 96.3 mt . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 120.932 0.396 . . . . 0.0 110.854 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.761 ' HB2' HG11 ' A' ' 52' ' ' VAL . 1.6 mtmm . . . . . 0 C--O 1.232 0.136 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.5 OUTLIER 168.76 178.51 0.03 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.519 0.676 . . . . 0.0 111.865 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG2' ' HD3' ' A' ' 33' ' ' LYS . 4.0 mt-30 -74.14 -22.4 59.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.142 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -81.21 -38.27 27.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.546 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.948 ' O ' HG23 ' A' ' 56' ' ' VAL . 20.6 m -63.01 -42.22 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.461 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.671 HG11 ' HG2' ' A' ' 33' ' ' LYS . 95.7 t -64.3 -47.05 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.342 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -54.31 -38.2 65.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 59' ' ' THR . 16.9 ttmt -78.98 -32.13 45.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.294 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 52' ' ' VAL . 43.1 t -56.64 -53.26 43.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.166 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -30.95 71.98 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -68.41 -32.69 72.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.478 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.582 HG22 ' HB3' ' C' ' 8' ' ' ASN . 1.2 m -61.19 -26.0 67.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.487 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.728 HD13 ' HB2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -113.38 -9.73 13.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.741 -179.324 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' HB2' ' HA ' ' A' ' 58' ' ' GLU . 42.4 t0 -42.51 93.31 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.8 0.333 . . . . 0.0 111.603 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.5 m-20 -99.3 -46.96 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -160.08 28.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.34 8.79 58.97 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.628 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 61.54 25.92 15.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.52 -6.34 45.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.019 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.06 175.38 5.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.643 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.703 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -115.37 85.11 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.448 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.698 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 2.0 p-10 -81.2 -165.43 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 73' ' ' PHE . 8.2 t80 -70.57 -15.18 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.774 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.667 ' HA ' HG23 ' B' ' 82' ' ' THR . 7.8 pt20 -76.07 -37.74 57.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.183 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -25.67 35.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.472 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.698 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -54.97 -62.28 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.409 178.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.458 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 22.6 mmm -61.29 -50.84 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.387 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' HE2' ' A' ' 79' ' ' MET . . . -58.61 -20.03 43.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.975 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.728 ' HB2' HD13 ' A' ' 60' ' ' LEU . 14.4 t80 -85.32 -75.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.592 HG13 ' SD ' ' B' ' 7' ' ' MET . 21.7 t -52.22 -23.5 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.485 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 74' ' ' MET . . . -85.26 -47.93 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.454 ' CE ' HD23 ' A' ' 60' ' ' LEU . 23.5 mtm -68.47 -50.54 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.435 0.636 . . . . 0.0 110.155 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.835 HG13 ' NE1' ' C' ' 7' ' ' TRP . 59.4 t -58.92 -40.62 80.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.013 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.711 HG23 ' HB3' ' A' ' 85' ' ' HIS . 4.1 m -71.23 -57.18 4.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.477 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' HA ' ' B' ' 71' ' ' GLN . 58.9 m -48.36 -23.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB2' ' CB ' ' C' ' 6' ' ' ASP . . . -82.24 -71.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.802 0.334 . . . . 0.0 111.871 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.0 p -87.44 -51.74 5.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 0.0 112.132 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.711 ' HB3' HG23 ' A' ' 81' ' ' THR . 2.3 t60 -48.3 -24.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.587 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.26 -64.36 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.359 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.51 -28.06 5.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.702 179.287 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 43.7 p . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.679 0.276 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.516 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 5.6 pt-20 -55.45 -37.3 67.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.174 0.511 . . . . 0.0 111.057 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.68 HD22 HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -46.51 -41.51 14.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.377 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.637 ' O ' HG23 ' B' ' 8' ' ' VAL . 3.7 pt-20 -84.16 -28.64 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 8.8 mtpt -71.63 -43.86 65.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.025 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.45 73.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.206 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.592 ' SD ' HG13 ' A' ' 77' ' ' VAL . 7.6 mtm -59.3 -46.63 88.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 4' ' ' GLU . 25.3 t -78.18 -25.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.636 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -64.11 -38.19 90.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.484 0.659 . . . . 0.0 109.401 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.76 -66.49 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.024 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.563 ' CG2' ' HA ' ' B' ' 8' ' ' VAL . 0.0 OUTLIER -42.46 -38.54 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.067 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.419 ' N ' HG23 ' B' ' 11' ' ' ILE . 0.8 OUTLIER -53.62 -49.4 67.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.317 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.592 HG12 ' HG ' ' B' ' 35' ' ' LEU . 37.2 t -57.09 -41.42 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.442 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.705 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -77.72 -29.52 51.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.335 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.442 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.3 t60 -83.52 -15.96 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.151 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -48.74 14.04 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.85 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.4 m-85 -83.82 -54.99 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.69 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.33 117.34 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.957 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.941 0.401 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.418 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 0.8 OUTLIER -178.16 -28.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.276 179.74 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.671 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.35 160.57 16.92 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 68' ' ' CYS . 3.1 mm? -122.49 138.0 54.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.042 0.448 . . . . 0.0 110.122 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.408 ' HA ' ' HE2' ' B' ' 57' ' ' MET . 2.2 pttt -113.61 -177.57 3.17 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.426 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.411 ' HB3' ' CE ' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -50.99 -41.41 59.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.821 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.1 p -63.99 -55.54 21.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.421 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.807 ' O ' HD22 ' B' ' 35' ' ' LEU . 5.1 mt-10 -68.54 -68.06 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.641 0.258 . . . . 0.0 111.665 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -41.32 -69.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.901 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.67 ' CG ' HG11 ' B' ' 53' ' ' VAL . 95.0 mttt -43.02 -43.65 4.36 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 111.434 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -53.01 -54.65 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.739 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.85 HD11 ' CD1' ' B' ' 17' ' ' TYR . 1.5 mm? -51.69 -35.38 42.54 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.666 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.825 ' HA ' HD12 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -58.97 -47.65 89.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.992 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -88.05 -8.74 55.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.411 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 34' ' ' GLU . 35.2 t30 -92.52 -25.23 18.48 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.206 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.533 ' O ' HD23 ' B' ' 40' ' ' LEU . 8.7 pt-20 -150.95 53.24 0.86 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' B' ' 36' ' ' ILE . 96.7 mt . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.938 0.399 . . . . 0.0 110.803 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.794 ' HB2' HG11 ' B' ' 52' ' ' VAL . 1.6 mtmm . . . . . 0 C--O 1.231 0.103 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.569 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.4 OUTLIER 168.79 178.47 0.03 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.555 0.693 . . . . 0.0 111.764 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 50' ' ' GLN . . . . . 0.437 ' HG2' ' HD3' ' B' ' 33' ' ' LYS . 4.0 mt-30 -74.04 -22.36 59.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.222 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -81.18 -38.27 27.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.563 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.951 ' O ' HG23 ' B' ' 56' ' ' VAL . 20.9 m -63.05 -42.23 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.313 . . . . 0.0 110.456 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.67 HG11 ' CG ' ' B' ' 33' ' ' LYS . 93.9 t -64.28 -47.03 91.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.354 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -54.36 -38.15 65.76 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' B' ' 59' ' ' THR . 16.9 ttmt -79.04 -32.05 44.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.259 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.951 HG23 ' O ' ' B' ' 52' ' ' VAL . 42.9 t -56.73 -53.23 44.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.142 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -64.27 -30.95 71.98 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.743 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' B' ' 61' ' ' ASP . 0.8 OUTLIER -68.48 -32.73 72.93 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.47 178.319 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.588 HG22 ' HB3' ' D' ' 8' ' ' ASN . 1.2 m -61.19 -25.99 67.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.419 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.721 HD13 ' HB2' ' B' ' 76' ' ' PHE . 0.3 OUTLIER -113.32 -9.75 13.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.713 -179.336 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 61' ' ' ASP . . . . . 0.419 ' HB2' ' HA ' ' B' ' 58' ' ' GLU . 42.4 t0 -42.57 93.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.857 0.36 . . . . 0.0 111.675 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 60' ' ' LEU . 2.5 m-20 -99.28 -46.9 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.68 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -160.18 28.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.43 8.82 58.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.496 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 61.59 25.88 15.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.5 -6.39 45.33 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.047 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -98.97 175.36 5.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.614 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.695 ' O ' HD23 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -115.4 85.03 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.431 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.671 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 2.1 p-10 -81.08 -165.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.509 ' HA ' ' HB2' ' B' ' 73' ' ' PHE . 8.2 t80 -70.52 -15.29 62.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.997 0.427 . . . . 0.0 110.843 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.671 ' HA ' HG23 ' A' ' 82' ' ' THR . 7.9 pt20 -76.07 -37.73 57.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.183 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.62 -25.66 35.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.493 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.705 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -54.94 -62.22 1.8 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.463 178.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.451 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 21.8 mmm -61.31 -50.87 71.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.454 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.62 -20.0 43.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.039 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.721 ' HB2' HD13 ' B' ' 60' ' ' LEU . 14.4 t80 -85.34 -75.43 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.096 0.474 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.565 HG13 ' SD ' ' A' ' 7' ' ' MET . 21.6 t -52.19 -23.43 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.511 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 74' ' ' MET . . . -85.38 -47.82 9.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.446 ' CE ' HD23 ' B' ' 60' ' ' LEU . 23.5 mtm -68.57 -50.42 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 0.0 110.086 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.833 HG13 ' NE1' ' D' ' 7' ' ' TRP . 59.3 t -59.04 -40.5 80.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.033 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.712 HG23 ' HB3' ' B' ' 85' ' ' HIS . 4.1 m -71.36 -57.14 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.453 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.667 HG23 ' HA ' ' A' ' 71' ' ' GLN . 59.4 m -48.39 -23.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' D' ' 6' ' ' ASP . . . -82.21 -71.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.794 0.331 . . . . 0.0 111.878 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.9 p -87.39 -51.86 5.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.084 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.712 ' HB3' HG23 ' B' ' 81' ' ' THR . 2.3 t60 -48.22 -24.55 1.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.25 -64.29 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.367 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.57 -27.99 5.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.505 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.672 179.334 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.689 0.28 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.57 -4.2 34.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.548 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.833 ' C ' HD13 ' C' ' 5' ' ' ILE . 1.3 tmtt? -80.23 -1.83 42.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.977 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 0.833 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 47.35 11.96 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -179.458 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.444 ' CB ' ' HB2' ' A' ' 83' ' ' ALA . 23.7 t0 37.66 28.86 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.835 ' NE1' HG13 ' A' ' 80' ' ' VAL . 10.3 m95 -70.97 -67.99 0.47 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.582 ' HB3' HG22 ' A' ' 59' ' ' THR . 35.1 t30 148.28 -97.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.598 0.759 . . . . 0.0 110.991 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -44.72 6.53 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.773 HG23 HD12 ' C' ' 11' ' ' LEU . 0.1 OUTLIER -54.2 -58.51 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.798 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.773 HD12 HG23 ' C' ' 10' ' ' ILE . 2.0 mp -93.82 -18.73 21.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.004 0.43 . . . . 0.0 110.323 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 13.0 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.991 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.817 0.341 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.29 -71.16 0.12 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.54 -4.2 34.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.575 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 0.827 ' C ' HD13 ' D' ' 5' ' ' ILE . 1.3 tmtt? -80.16 -1.96 42.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.966 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 0.827 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 47.34 12.02 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.438 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.436 ' CB ' ' HB2' ' B' ' 83' ' ' ALA . 23.8 t0 37.66 28.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.833 ' NE1' HG13 ' B' ' 80' ' ' VAL . 10.3 m95 -71.03 -67.91 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.588 ' HB3' HG22 ' B' ' 59' ' ' THR . 35.0 t30 148.32 -97.53 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.638 0.775 . . . . 0.0 111.005 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.93 -44.76 6.55 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.761 HG23 HD12 ' D' ' 11' ' ' LEU . 0.1 OUTLIER -54.22 -58.44 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -177.724 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.761 HD12 HG23 ' D' ' 10' ' ' ILE . 2.0 mp -93.83 -18.69 21.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.351 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 12.8 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.997 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.84 -29.44 70.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -50.59 70.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.66 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.6 tt0 -60.45 -46.15 91.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.669 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -56.6 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.677 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.641 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -58.05 -46.29 85.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.514 ' HE3' HG13 ' B' ' 77' ' ' VAL . 6.5 mtt -56.52 -51.09 69.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 4' ' ' GLU . 24.0 t -73.86 -26.3 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.445 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.714 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.36 -37.86 88.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.427 0.632 . . . . 0.0 109.602 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 4.7 mt -73.41 -49.51 26.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.118 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 8' ' ' VAL . 17.9 mt -58.69 -50.24 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.893 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.39 -51.51 14.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.576 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 9' ' ' ALA . 20.9 t -50.79 -52.22 17.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.877 0.37 . . . . 0.0 111.762 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -74.27 -31.37 62.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.728 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.407 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.2 t-80 -64.83 -19.85 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.762 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -84.03 -52.4 6.34 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.961 0.41 . . . . 0.0 109.985 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.714 ' CD1' HD11 ' A' ' 35' ' ' LEU . 7.7 m-85 -83.89 -71.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.04 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.609 ' HB2' HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -45.89 137.85 5.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.138 -179.68 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.452 ' HA3' ' CB ' ' A' ' 24' ' ' LYS . . . . . . . . 0 CA--C 1.519 0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 113.213 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.452 ' CB ' ' HA3' ' A' ' 19' ' ' GLY . 10.6 tttp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.964 0.411 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -151.97 67.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.558 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.646 ' CE ' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -174.14 173.73 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.135 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.767 HD23 ' HB3' ' A' ' 31' ' ' GLU . 2.0 mp -136.74 136.95 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.493 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 2.7 mtmt -101.2 179.05 4.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.928 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 12.0 mttt -53.14 -28.61 26.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.4 m -80.79 -38.6 28.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.794 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.767 ' HB3' HD23 ' A' ' 27' ' ' LEU . 4.7 mt-10 -70.23 -63.87 1.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 HD13 ' A' ' 60' ' ' LEU . 3.5 tt -49.77 -55.89 12.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.129 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.838 ' CE ' HG12 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -45.49 -42.66 10.91 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.55 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.4 mm-40 -57.98 -68.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.495 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.714 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.3 mm? -40.34 -32.79 0.2 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.01 0.433 . . . . 0.0 111.869 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.819 HG23 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -56.57 -67.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.438 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -79.21 -8.21 58.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.407 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.539 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 4.5 t30 -76.74 -43.84 35.59 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.706 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' OE2' HG22 ' A' ' 13' ' ' VAL . 6.3 pt-20 -167.57 60.55 0.08 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.819 HD12 HG23 ' A' ' 36' ' ' ILE . 8.5 mt . . . . . 0 N--CA 1.464 0.226 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.683 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.779 0.323 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.809 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -160.53 -179.38 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.699 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -38.03 51.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 0.0 110.592 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.76 95.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.226 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.885 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.2 m -63.13 -42.07 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.23 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.838 HG12 ' CE ' ' A' ' 33' ' ' LYS . 5.3 t -51.03 -59.16 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.687 0.28 . . . . 0.0 111.32 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.29 -43.78 22.74 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.917 0.389 . . . . 0.0 110.381 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -71.38 -34.45 70.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.556 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 52' ' ' VAL . 82.2 t -57.31 -57.81 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.342 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.414 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -58.23 -33.57 69.48 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.709 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -34.27 75.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.429 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.742 HG23 ' H ' ' C' ' 9' ' ' LYS . 2.7 m -68.61 -14.08 62.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.913 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -85.57 -14.26 46.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.443 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.24 92.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.862 0.363 . . . . 0.0 111.363 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -113.12 -31.21 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -178.7 43.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.412 ' HA2' ' NZ ' ' A' ' 26' ' ' LYS . . . -116.57 5.72 18.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.641 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.44 25.51 15.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.956 0.408 . . . . 0.0 110.528 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.22 -33.54 3.98 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.522 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -97.05 177.84 5.46 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 110.208 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.654 ' O ' HD12 ' A' ' 27' ' ' LEU . 5.4 m -134.32 115.5 14.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.286 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.646 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 16.5 p-10 -88.47 -153.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.144 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.623 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -74.05 -31.62 62.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.678 0.275 . . . . 0.0 111.252 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 1.3 pt20 -70.19 -29.16 65.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.779 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 6.0 mm-40 -76.62 -50.99 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.391 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -64.36 -39.32 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.806 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.631 ' CE ' HG21 ' B' ' 81' ' ' THR . 63.6 mmm -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 0.0 110.024 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -71.41 -32.19 68.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.56 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.775 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 75.8 t80 -65.79 -71.28 0.2 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.459 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.466 HG13 ' CE ' ' B' ' 7' ' ' MET . 22.9 t -46.74 -29.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.06 0.457 . . . . 0.0 110.533 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.67 -38.77 17.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.108 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.775 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 1.4 ptt? -78.14 -41.94 33.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.181 0.515 . . . . 0.0 110.699 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.744 HG13 ' NE1' ' C' ' 7' ' ' TRP . 49.1 t -64.53 -44.26 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.613 HG21 ' CE ' ' B' ' 74' ' ' MET . 10.1 t -69.4 -41.0 77.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.134 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 78' ' ' ALA . 1.8 p -55.3 -32.26 62.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.05 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.746 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -77.14 -62.33 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.451 ' HB3' HG23 ' C' ' 5' ' ' ILE . 14.5 p -87.08 -49.37 7.36 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' CB ' ' OG1' ' A' ' 81' ' ' THR . 0.6 OUTLIER -50.56 -22.69 2.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.824 0.345 . . . . 0.0 110.785 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 82' ' ' THR . 14.5 tt0 -46.06 -63.71 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.017 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -30.6 6.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.492 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.434 179.314 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.854 0.359 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.68 -29.48 70.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.41 ' HG ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -62.42 -50.52 71.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.666 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 4' ' ' GLU . . . . . 0.645 ' O ' HG23 ' B' ' 8' ' ' VAL . 6.6 tt0 -60.41 -46.21 90.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.662 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -56.62 17.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -57.98 -46.32 85.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.466 ' CE ' HG13 ' A' ' 77' ' ' VAL . 6.5 mtt -56.54 -51.08 69.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 4' ' ' GLU . 23.9 t -73.96 -26.11 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.475 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.69 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.38 -38.0 89.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.393 0.616 . . . . 0.0 109.558 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.425 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 4.8 mt -73.36 -49.56 26.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.129 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' B' ' 8' ' ' VAL . 17.8 mt -58.65 -50.08 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.97 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.58 -51.49 15.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.52 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 9' ' ' ALA . 21.1 t -50.89 -52.17 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.343 . . . . 0.0 111.673 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -74.29 -31.32 62.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.713 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' B' ' 11' ' ' ILE . 1.2 t-80 -64.86 -19.87 66.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -83.99 -52.42 6.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.012 0.434 . . . . 0.0 109.977 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.714 ' CD1' HD11 ' B' ' 35' ' ' LEU . 7.7 m-85 -83.9 -71.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.058 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.602 ' HB2' HD11 ' B' ' 27' ' ' LEU . 0.5 OUTLIER -45.79 137.88 5.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.154 -179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.451 ' HA3' ' CB ' ' B' ' 24' ' ' LYS . . . . . . . . 0 CA--C 1.518 0.241 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.287 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.451 ' CB ' ' HA3' ' B' ' 19' ' ' GLY . 10.6 tttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.987 0.423 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -151.98 67.9 0.87 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.522 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.639 ' CE ' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -174.2 173.73 3.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.034 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.777 HD23 ' HB3' ' B' ' 31' ' ' GLU . 2.0 mp -136.71 137.07 39.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 0.0 110.475 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.54 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 2.8 mtmt -101.38 179.06 4.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.861 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 12.0 mttt -53.1 -28.62 26.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.2 m -80.68 -38.78 28.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.777 ' HB3' HD23 ' B' ' 27' ' ' LEU . 4.8 mt-10 -70.21 -63.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.45 HD11 HD13 ' B' ' 60' ' ' LEU . 3.5 tt -49.7 -55.9 12.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.197 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.832 ' CE ' HG12 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -45.45 -42.81 10.88 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.476 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 2.4 mm-40 -57.8 -68.41 0.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.517 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.715 ' H ' HD22 ' B' ' 35' ' ' LEU . 1.3 mm? -40.51 -32.69 0.21 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.955 0.407 . . . . 0.0 111.769 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.804 HG23 HD12 ' B' ' 40' ' ' LEU . 1.3 mt -56.68 -67.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.4 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -79.17 -8.25 58.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.472 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.555 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 4.5 t30 -76.81 -43.76 35.32 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.673 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.42 ' OE2' HG22 ' B' ' 13' ' ' VAL . 6.2 pt-20 -167.57 60.5 0.08 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.804 HD12 HG23 ' B' ' 36' ' ' ILE . 8.5 mt . . . . . 0 C--N 1.331 -0.231 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.712 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.66 0.267 . . . . 0.0 111.37 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.794 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -160.56 -179.51 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.709 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -38.01 51.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.964 0.412 . . . . 0.0 110.586 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.77 95.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.278 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.897 ' O ' HG23 ' B' ' 56' ' ' VAL . 4.2 m -63.19 -42.05 95.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.218 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.832 HG12 ' CE ' ' B' ' 33' ' ' LYS . 5.2 t -50.96 -59.28 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 120.689 0.28 . . . . 0.0 111.329 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.26 -43.83 22.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.908 0.385 . . . . 0.0 110.331 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -71.36 -34.35 70.39 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.619 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.897 HG23 ' O ' ' B' ' 52' ' ' VAL . 82.5 t -57.3 -57.85 8.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.339 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.41 ' HB2' HD13 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -58.22 -33.48 69.36 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.732 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -34.27 75.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.368 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.729 HG23 ' H ' ' D' ' 9' ' ' LYS . 2.7 m -68.64 -13.94 62.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.972 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -85.61 -14.34 45.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.475 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.16 92.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.835 0.35 . . . . 0.0 111.377 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -113.24 -31.02 6.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.736 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -178.83 43.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.418 ' HA2' ' NZ ' ' B' ' 26' ' ' LYS . . . -116.54 5.66 18.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.643 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.48 25.53 15.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 110.52 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.11 -33.44 4.03 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.506 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.54 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -97.03 177.84 5.47 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.836 0.35 . . . . 0.0 110.265 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.65 ' O ' HD12 ' B' ' 27' ' ' LEU . 5.5 m -134.33 115.5 14.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.25 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.639 ' HB3' ' CE ' ' B' ' 26' ' ' LYS . 16.4 p-10 -88.46 -153.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.142 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.624 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 1.0 OUTLIER -73.88 -31.77 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.292 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.407 ' HG2' ' OD2' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -70.14 -29.11 65.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.801 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.463 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 6.0 mm-40 -76.6 -51.05 12.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 111.401 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.624 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -64.33 -39.28 93.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.854 -179.742 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.613 ' CE ' HG21 ' A' ' 81' ' ' THR . 63.5 mmm -62.06 -35.3 78.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.016 0.436 . . . . 0.0 109.888 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -71.35 -32.22 68.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.598 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.773 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 75.9 t80 -65.84 -71.23 0.2 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.436 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.514 HG13 ' HE3' ' A' ' 7' ' ' MET . 22.6 t -46.65 -29.59 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.086 0.469 . . . . 0.0 110.616 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.587 ' O ' HG23 ' B' ' 82' ' ' THR . . . -85.51 -38.94 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.133 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.773 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 1.4 ptt? -77.98 -42.04 34.08 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.178 0.513 . . . . 0.0 110.691 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.745 HG13 ' NE1' ' D' ' 7' ' ' TRP . 49.1 t -64.49 -44.33 96.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.631 HG21 ' CE ' ' A' ' 74' ' ' MET . 10.1 t -69.29 -41.0 77.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.177 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.587 HG23 ' O ' ' B' ' 78' ' ' ALA . 1.8 p -55.32 -32.28 62.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.073 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.765 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -77.1 -62.27 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.437 ' HB3' HG23 ' D' ' 5' ' ' ILE . 14.6 p -87.17 -49.22 7.44 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.41 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 0.6 OUTLIER -50.63 -22.64 2.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.874 0.369 . . . . 0.0 110.821 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' B' ' 82' ' ' THR . 14.4 tt0 -45.92 -63.78 0.89 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.1 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -30.77 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.36 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.51 179.333 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.866 0.365 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -98.25 1.55 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.344 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.714 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -90.41 -7.96 51.81 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.38 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 0.996 HD11 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER 48.82 12.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.746 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 30.0 t0 45.8 41.63 7.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.744 ' NE1' HG13 ' A' ' 80' ' ' VAL . 11.5 m95 -78.63 -69.08 0.59 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.629 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.9 OUTLIER 156.14 -88.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.671 178.794 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.742 ' H ' HG23 ' A' ' 59' ' ' THR . 1.3 tmtt? -97.56 -52.1 3.89 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.707 HG23 HD23 ' C' ' 11' ' ' LEU . 0.1 OUTLIER -54.09 -54.4 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.855 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.996 HD12 HD11 ' C' ' 5' ' ' ILE . 2.6 mm? -87.5 -23.97 24.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.071 0.462 . . . . 0.0 110.057 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 19.9 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.194 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 1' ' ' THR . . . . . 0.436 HG22 ' HB2' ' B' ' 83' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.887 0.375 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -99.03 -69.1 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -98.34 1.55 47.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.305 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 0.693 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -90.47 -7.81 52.07 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 111.416 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 0.979 HD11 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER 48.76 12.61 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.765 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 29.9 t0 45.8 41.6 7.82 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.745 ' NE1' HG13 ' B' ' 80' ' ' VAL . 11.5 m95 -78.63 -69.07 0.59 Allowed 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.632 ' HB2' HG22 ' B' ' 59' ' ' THR . 0.9 OUTLIER 156.13 -88.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.628 178.777 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 9' ' ' LYS . . . . . 0.729 ' H ' HG23 ' B' ' 59' ' ' THR . 1.2 tmtt? -97.64 -51.97 3.93 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.697 HG23 HD23 ' D' ' 11' ' ' LEU . 0.1 OUTLIER -54.19 -54.36 21.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.858 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.979 HD12 HD11 ' D' ' 5' ' ' ILE . 2.6 mm? -87.57 -23.91 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.042 0.449 . . . . 0.0 109.988 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 20.3 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.178 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.863 0.363 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.419 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 4.4 mt-10 -69.15 -14.06 62.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.356 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.546 HD13 HD11 ' B' ' 40' ' ' LEU . 3.9 mt -82.26 -25.6 33.92 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -84.01 -43.03 15.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.567 0.222 . . . . 0.0 111.344 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -72.96 -49.45 29.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.367 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.479 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -57.83 -50.83 71.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.299 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.548 ' O ' HG12 ' A' ' 11' ' ' ILE . 23.2 ttm -48.33 -63.1 1.17 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.485 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 19.4 t -69.27 -22.69 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.025 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -60.29 -41.68 93.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.325 0.583 . . . . 0.0 109.933 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.567 HD11 ' CE ' ' A' ' 74' ' ' MET . 1.1 pp -71.06 -37.29 72.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.723 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.759 HD12 ' CE1' ' A' ' 70' ' ' PHE . 2.6 mm -64.72 -43.6 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.44 -40.61 18.47 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.529 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 HD11 ' A' ' 35' ' ' LEU . 39.4 t -58.05 -47.49 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.464 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -71.01 -26.92 63.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.617 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -81.4 -20.4 40.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.394 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -81.72 -38.28 26.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.97 0.414 . . . . 0.0 110.497 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.438 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 1.8 m-85 -83.02 -55.13 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -62.68 -48.82 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.25 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.755 -179.786 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.767 0.318 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -167.32 47.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.045 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.702 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -175.88 147.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.702 HD13 ' O ' ' A' ' 26' ' ' LYS . 2.1 mm? -135.04 139.16 44.57 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -115.99 -178.19 3.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.111 0.482 . . . . 0.0 111.807 -179.204 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -59.44 -19.05 44.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.858 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 m -83.46 -54.53 4.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -78.33 -55.08 5.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.357 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.472 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.5 tm? -46.75 -61.04 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.591 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 mptt -54.98 -58.95 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.16 -41.48 65.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.573 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.943 HD11 HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -59.08 -50.89 72.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.16 0.505 . . . . 0.0 111.101 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.2 mt -56.0 -41.81 69.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.59 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.66 -13.44 59.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.451 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.48 -33.17 13.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.02 -37.53 5.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.525 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 36' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.003 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.614 0.245 . . . . 0.0 111.643 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.603 ' O ' HG22 ' A' ' 52' ' ' VAL . 28.8 mt-10 -108.64 -176.11 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.136 0.493 . . . . 0.0 111.631 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -41.32 49.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.094 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -42.58 97.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 49' ' ' GLU . 8.9 m -62.13 -42.7 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.019 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HA ' HG12 ' A' ' 56' ' ' VAL . 1.9 t -51.97 -43.51 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 120.624 0.25 . . . . 0.0 111.444 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 4.1 m-20 -58.8 -55.77 30.85 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HB3' HG12 ' C' ' 10' ' ' ILE . 2.5 ttmt -63.58 -43.3 97.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.75 HG12 ' HA ' ' A' ' 53' ' ' VAL . 10.6 p -64.14 -50.75 75.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.163 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.543 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 1.7 tmm? -58.29 -43.02 87.84 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -66.98 -31.54 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.522 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.844 HG23 ' H ' ' C' ' 9' ' ' LYS . 21.4 m -64.44 -30.08 71.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -87.17 -26.62 23.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.415 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -43.6 95.91 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.861 0.362 . . . . 0.0 111.306 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -109.14 -56.44 2.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.713 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.4 31.74 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.1 9.87 58.13 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.502 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.21 23.02 11.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.808 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.17 -26.05 10.79 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.616 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.546 ' HB3' ' HG3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -94.6 -177.58 4.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.755 0.312 . . . . 0.0 110.544 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.584 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -121.22 86.12 2.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.372 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.504 ' HA ' ' HA ' ' A' ' 26' ' ' LYS . 7.8 p-10 -73.53 -159.16 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.759 ' CE1' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -73.71 -30.85 63.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.38 . . . . 0.0 110.687 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.4 -39.49 87.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.373 0.606 . . . . 0.0 110.11 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.507 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 2.0 mm-40 -69.74 -31.81 70.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.827 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.42 -53.83 51.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.102 178.836 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.567 ' CE ' HD11 ' A' ' 10' ' ' LEU . 29.9 mmt -51.81 -54.31 30.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.546 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.13 74.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.708 ' HA ' HD21 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -55.63 -74.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.447 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 81' ' ' THR . 4.2 p -59.78 -36.67 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.182 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -65.86 -50.05 65.93 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.8 mtm -64.65 -67.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.261 0.553 . . . . 0.0 111.268 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.642 HG22 ' CD2' ' C' ' 7' ' ' TRP . 12.1 t -45.46 -27.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.341 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 77' ' ' VAL . 15.9 p -78.66 -52.75 7.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.877 0.37 . . . . 0.0 111.43 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.5 m -45.07 -33.47 2.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.746 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.626 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -82.67 -65.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.704 ' HB3' HG22 ' C' ' 5' ' ' ILE . 19.9 p -84.83 -45.45 12.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -178.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.552 ' C ' ' H ' ' A' ' 87' ' ' PHE . 10.1 t-80 -55.46 -16.69 4.0 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.497 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -56.95 -0.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.843 177.338 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.552 ' H ' ' C ' ' A' ' 85' ' ' HIS . 60.2 m-85 83.79 34.65 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 36.2 p90 . . . . . 0 C--O 1.231 0.117 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.391 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.878 0.371 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.426 ' HG2' ' HB1' ' A' ' 9' ' ' ALA . 4.4 mt-10 -69.19 -13.92 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.418 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.54 HD13 HD11 ' A' ' 40' ' ' LEU . 3.8 mt -82.28 -25.65 33.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.549 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.94 -43.07 15.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.593 0.235 . . . . 0.0 111.357 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -72.95 -49.42 29.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.859 0.362 . . . . 0.0 111.061 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.479 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -57.92 -50.85 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.538 ' O ' HG12 ' B' ' 11' ' ' ILE . 23.5 ttm -48.27 -63.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.492 ' HA ' HG12 ' B' ' 11' ' ' ILE . 19.0 t -69.26 -22.71 26.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.117 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -60.27 -41.78 94.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.291 0.567 . . . . 0.0 109.92 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.573 HD11 ' CE ' ' B' ' 74' ' ' MET . 1.1 pp -71.05 -37.14 72.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.727 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.74 HD12 ' CE1' ' B' ' 70' ' ' PHE . 2.6 mm -64.84 -43.57 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.525 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -40.61 18.17 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.899 HG12 HD11 ' B' ' 35' ' ' LEU . 39.5 t -58.04 -47.46 86.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.472 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.514 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -71.05 -26.86 63.27 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.618 179.466 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -81.46 -20.44 40.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.376 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.81 -38.11 26.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.539 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.436 ' CG ' ' HG ' ' B' ' 35' ' ' LEU . 1.8 m-85 -83.06 -55.15 4.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.05 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -62.76 -48.84 77.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.16 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.173 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.765 -179.772 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.743 0.306 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.452 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 0.8 OUTLIER -167.37 47.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.688 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -175.87 147.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.688 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.1 mm? -135.02 139.26 44.69 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -116.0 -178.21 3.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.122 0.487 . . . . 0.0 111.731 -179.087 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -59.41 -19.15 44.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.891 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 44.4 m -83.37 -54.49 4.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.82 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -78.27 -55.11 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.374 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.465 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.5 tm? -46.85 -61.03 2.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.55 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 5.3 mptt -54.95 -58.99 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 111.11 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.11 -41.49 65.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.58 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.899 HD11 HG12 ' B' ' 13' ' ' VAL . 0.3 OUTLIER -59.15 -50.89 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.146 0.498 . . . . 0.0 111.037 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.799 ' HA ' HD12 ' B' ' 40' ' ' LEU . 2.2 mt -55.93 -41.92 69.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.553 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.6 -13.41 59.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.519 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -94.66 -32.98 13.14 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.14 -37.5 5.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.506 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' B' ' 36' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.697 0.284 . . . . 0.0 111.648 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.608 ' O ' HG23 ' B' ' 53' ' ' VAL . 28.9 mt-10 -108.73 -176.02 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.08 0.466 . . . . 0.0 111.59 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -41.35 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.115 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -42.61 97.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.194 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.591 HG22 ' O ' ' B' ' 49' ' ' GLU . 9.1 m -62.2 -42.7 96.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.038 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.755 ' HA ' HG12 ' B' ' 56' ' ' VAL . 1.9 t -51.92 -43.59 36.08 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-O 120.721 0.296 . . . . 0.0 111.416 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 4.1 m-20 -58.74 -55.78 30.68 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.562 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.429 ' HB3' HG12 ' D' ' 10' ' ' ILE . 2.4 ttmt -63.51 -43.31 97.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.755 HG12 ' HA ' ' B' ' 53' ' ' VAL . 10.6 p -64.2 -50.6 76.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.128 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.526 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 1.7 tmm? -58.43 -42.98 88.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -66.97 -31.58 72.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.619 179.101 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.84 HG23 ' H ' ' D' ' 9' ' ' LYS . 21.6 m -64.37 -30.05 71.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.695 HD21 ' HA ' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -87.27 -26.54 23.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.448 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -43.76 95.96 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.883 0.373 . . . . 0.0 111.276 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -109.06 -56.44 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.744 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.53 31.8 2.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.12 9.77 58.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.451 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.29 23.01 11.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.796 0.332 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.15 -26.14 10.72 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.549 ' HB3' ' HG3' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -94.6 -177.52 4.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.54 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.59 ' O ' HD23 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -121.25 86.19 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.373 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.479 ' HA ' ' HA ' ' B' ' 26' ' ' LYS . 7.9 p-10 -73.55 -159.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.74 ' CE1' HD12 ' B' ' 11' ' ' ILE . 0.3 OUTLIER -73.81 -30.83 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.025 0.441 . . . . 0.0 110.741 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.4 -39.39 87.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.353 0.597 . . . . 0.0 110.204 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.504 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 2.0 mm-40 -69.68 -31.91 70.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.889 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.1 OUTLIER -55.44 -53.75 52.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.128 178.847 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.573 ' CE ' HD11 ' B' ' 10' ' ' LEU . 29.9 mmt -51.8 -54.41 29.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.512 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.41 -33.2 75.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.695 ' HA ' HD21 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -55.59 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.429 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 81' ' ' THR . 4.3 p -59.84 -36.7 67.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.125 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -65.97 -49.96 66.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.76 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.8 mtm -64.73 -67.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.282 0.563 . . . . 0.0 111.257 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.652 HG22 ' CD2' ' D' ' 7' ' ' TRP . 12.3 t -45.53 -27.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.348 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.606 HG23 ' O ' ' B' ' 77' ' ' VAL . 16.0 p -78.72 -52.76 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.0 111.383 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -45.1 -33.45 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.764 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -82.58 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.726 ' HB3' HG22 ' D' ' 5' ' ' ILE . 19.9 p -84.78 -45.5 12.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.064 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.555 ' C ' ' H ' ' B' ' 87' ' ' PHE . 10.1 t-80 -55.47 -16.64 3.98 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.493 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' B' ' 87' ' ' PHE . 0.4 OUTLIER -56.92 -1.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.8 177.397 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 87' ' ' PHE . . . . . 0.555 ' H ' ' C ' ' B' ' 85' ' ' HIS . 60.4 m-85 83.81 34.72 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -177.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' B' ' 88' ' ' PHE . 36.3 p90 . . . . . 0 CA--C 1.528 0.1 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.448 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 2' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.893 0.377 . . . . 0.0 110.423 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -99.32 1.9 44.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 1.011 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -79.22 -3.17 44.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.549 179.577 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 1.011 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 33.79 37.62 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 121.354 0.597 . . . . 0.0 111.589 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.581 ' HB3' ' HD3' ' C' ' 4' ' ' LYS . 17.9 p-10 -60.82 83.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.989 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.642 ' CD2' HG22 ' A' ' 80' ' ' VAL . 20.6 m0 -75.47 -39.33 58.83 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.426 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.586 ' O ' ' HA ' ' C' ' 12' ' ' SER . 3.8 m-20 168.41 -93.63 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.743 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.844 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -97.92 -44.81 6.53 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.659 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.728 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.95 -59.24 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.034 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.728 HD23 HG23 ' C' ' 10' ' ' ILE . 3.8 mm? -91.73 -12.88 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 47.2 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.165 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 1' ' ' THR . . . . . 0.787 HG22 ' OD2' ' D' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.678 0.275 . . . . 0.0 111.267 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 2' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' B' ' 83' ' ' ALA . 0.4 OUTLIER -50.38 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.436 179.766 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -99.25 1.88 45.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.977 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 1.019 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -79.18 -3.12 44.14 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.495 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 1.019 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 33.85 37.48 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.31 0.576 . . . . 0.0 111.6 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.787 ' OD2' HG22 ' D' ' 1' ' ' THR . 17.9 p-10 -60.84 83.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.075 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.652 ' CD2' HG22 ' B' ' 80' ' ' VAL . 20.2 m0 -75.39 -39.4 59.14 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.585 ' O ' ' HA ' ' D' ' 12' ' ' SER . 3.8 m-20 168.49 -93.58 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.708 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 9' ' ' LYS . . . . . 0.84 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -98.0 -44.79 6.51 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.622 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.74 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.87 -59.24 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -178.075 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.74 HD23 HG23 ' D' ' 10' ' ' ILE . 3.8 mm? -91.77 -12.86 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 47.4 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.199 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.6 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.885 0.374 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.725 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.2 OUTLIER -61.81 -38.57 88.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.361 0.601 . . . . 0.0 110.745 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.493 HD12 ' OE2' ' B' ' 39' ' ' GLU . 0.7 OUTLIER -55.16 -23.05 19.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.834 179.752 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.44 -43.4 14.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.517 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -79.82 -34.38 39.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.698 0.285 . . . . 0.0 111.098 -179.562 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -63.97 -43.54 95.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.844 0.355 . . . . 0.0 110.633 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.5 ttm -58.86 -54.39 47.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.261 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.658 ' HA ' HG22 ' A' ' 11' ' ' ILE . 23.6 t -74.21 -17.54 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.466 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.714 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -66.22 -40.97 90.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.36 0.6 . . . . 0.0 109.453 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -65.56 -58.97 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.072 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -52.66 -38.36 27.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.504 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.7 -43.45 47.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.984 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.81 HG12 ' HG ' ' A' ' 35' ' ' LEU . 3.2 t -63.69 -34.15 66.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.559 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -79.7 -28.74 40.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.114 179.458 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.4 m170 -81.26 -15.96 54.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.01 -50.01 9.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.889 0.376 . . . . 0.0 110.001 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.834 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.7 m-85 -83.7 -60.54 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.433 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.418 ' HB2' HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.85 127.99 34.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.904 0.383 . . . . 0.0 111.07 -179.767 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.647 ' N ' ' HB2' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.689 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.647 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.914 0.388 . . . . 0.0 111.327 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 14.8 t-160 -168.82 -33.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.962 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.675 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.56 157.08 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.385 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 31' ' ' GLU . 3.4 mp -134.58 138.82 44.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 -178.67 3.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.321 -179.167 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' N ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -47.08 -44.01 20.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.775 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -56.77 -50.21 72.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.725 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.788 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -69.89 -68.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.973 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' A' ' 53' ' ' VAL . 30.9 tp -42.37 -71.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.91 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.801 ' HG2' HG11 ' A' ' 53' ' ' VAL . 75.2 mttt -42.58 -46.44 4.93 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.772 0.32 . . . . 0.0 111.711 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -49.2 -58.45 4.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.834 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.2 mm? -52.92 -32.59 46.3 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.924 0.392 . . . . 0.0 111.523 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.001 HG23 HD12 ' A' ' 40' ' ' LEU . 1.5 mt -58.93 -53.3 49.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.71 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -83.81 -8.17 59.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.636 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.454 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 5.7 t-20 -97.65 -18.57 18.81 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' OE2' HD12 ' B' ' 3' ' ' LEU . 0.0 OUTLIER -150.03 42.43 0.86 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.173 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.001 HD12 HG23 ' A' ' 36' ' ' ILE . 59.1 mt . . . . . 0 N--CA 1.464 0.272 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.858 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.641 ' HB2' HG11 ' A' ' 52' ' ' VAL . 6.2 mtmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 52' ' ' VAL . 6.6 tt0 174.39 175.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.714 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -16.83 61.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.08 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -81.29 -40.01 24.34 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.228 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.97 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.8 m -64.63 -38.35 82.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.801 HG11 ' HG2' ' A' ' 33' ' ' LYS . 74.3 t -64.56 -51.29 69.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.125 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.4 -32.85 18.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.235 0.54 . . . . 0.0 109.715 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -85.38 -30.69 23.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.478 178.339 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 52' ' ' VAL . 55.0 t -61.15 -48.33 89.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.434 ' HE1' ' N ' ' A' ' 29' ' ' LYS . 3.8 ptp -68.11 -39.48 82.8 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -32.94 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.115 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.713 HG23 ' HB2' ' C' ' 8' ' ' ASN . 34.5 m -76.92 -20.16 56.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.105 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.935 HD11 ' CD1' ' A' ' 76' ' ' PHE . 7.3 mt -98.68 -17.88 18.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.04 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -40.59 93.26 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.066 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.48 -31.57 9.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.349 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 p30 179.1 38.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.624 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 26' ' ' LYS . . . -114.74 5.83 22.5 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.934 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 63.04 24.79 14.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.683 0.278 . . . . 0.0 111.198 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.64 18.34 11.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.67 -0.776 . . . . 0.0 113.15 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.36 159.51 33.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.791 0.329 . . . . 0.0 110.338 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.99 86.58 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.675 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -74.35 -175.01 2.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 0.0 110.386 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.657 ' CG ' HD12 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -63.27 -35.54 80.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.778 -179.514 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.567 ' HA ' HG22 ' B' ' 82' ' ' THR . 0.2 OUTLIER -74.19 -26.36 60.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.442 ' O ' HD22 ' A' ' 60' ' ' LEU . 5.2 mm-40 -77.96 -38.4 45.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.333 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -73.44 -31.81 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.655 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.433 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 6.7 mmm -61.9 -60.94 2.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 79' ' ' MET . . . -60.52 -23.53 64.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.752 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.935 ' CD1' HD11 ' A' ' 60' ' ' LEU . 20.7 t80 -67.37 -71.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.901 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 81' ' ' THR . 22.8 t -45.6 -29.92 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-O 121.108 0.48 . . . . 0.0 110.654 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.98 -44.65 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.969 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -69.53 -41.45 75.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.342 0.591 . . . . 0.0 110.571 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.626 HG13 ' CZ2' ' C' ' 7' ' ' TRP . 57.9 t -64.61 -42.99 96.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.843 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 77' ' ' VAL . 52.2 p -73.35 -49.13 28.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.06 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 78' ' ' ALA . 13.3 p -46.22 -31.81 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.904 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.62 -68.66 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -53.84 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.513 ' HB3' ' HB ' ' A' ' 81' ' ' THR . 8.6 t-160 -47.11 -20.44 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.0 110.952 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.48 ' HA ' ' CE2' ' B' ' 70' ' ' PHE . 30.2 tt0 -55.03 -65.66 0.54 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.032 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -13.86 6.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 N--CA 1.451 -0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.626 179.45 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 84.9 p . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.714 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -61.95 -38.6 89.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.282 0.563 . . . . 0.0 110.689 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.493 HD12 ' OE2' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -55.02 -23.17 18.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.92 179.666 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.4 -43.27 14.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.611 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.537 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -79.85 -34.38 39.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.701 0.286 . . . . 0.0 111.086 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -63.94 -43.65 95.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.891 0.376 . . . . 0.0 110.533 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.5 ttm -58.84 -54.22 49.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.314 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.65 ' HA ' HG22 ' B' ' 11' ' ' ILE . 24.0 t -74.35 -17.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.381 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.725 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -66.35 -40.91 90.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.509 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -65.6 -58.94 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.099 179.081 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.669 HD12 ' CG ' ' B' ' 70' ' ' PHE . 0.8 OUTLIER -52.69 -38.3 27.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.513 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.73 -43.38 47.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.972 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.849 HG12 ' HG ' ' B' ' 35' ' ' LEU . 3.2 t -63.74 -34.12 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.615 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -79.54 -28.99 41.24 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.192 179.394 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.406 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.4 m170 -81.1 -15.92 54.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.9 -50.15 9.5 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.863 0.363 . . . . 0.0 110.031 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.818 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.66 -60.45 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.453 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.411 ' HB2' HD21 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -56.95 128.03 34.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.653 ' N ' ' HB2' ' B' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.206 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.718 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.653 ' HB2' ' N ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.906 0.384 . . . . 0.0 111.331 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.444 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 14.8 t-160 -168.92 -33.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.703 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.68 157.01 20.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.419 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' B' ' 31' ' ' GLU . 3.4 mp -134.53 138.8 44.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 -178.73 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.355 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.443 ' N ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -47.11 -43.87 20.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.86 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -56.86 -50.17 73.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.646 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.797 ' O ' HD22 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -70.02 -68.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.889 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' B' ' 53' ' ' VAL . 30.5 tp -42.29 -71.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.911 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.784 ' CG ' HG11 ' B' ' 53' ' ' VAL . 75.2 mttt -42.48 -46.41 4.79 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 111.835 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.445 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -49.22 -58.47 4.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.001 -179.264 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.849 ' HG ' HG12 ' B' ' 13' ' ' VAL . 1.2 mm? -52.92 -32.58 46.33 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.936 0.398 . . . . 0.0 111.48 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 1.034 HG23 HD12 ' B' ' 40' ' ' LEU . 1.5 mt -58.97 -53.21 50.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.695 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -83.83 -8.27 59.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.448 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 5.8 t-20 -97.66 -18.49 18.85 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.967 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.493 ' OE2' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -150.08 42.38 0.85 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 1.034 HD12 HG23 ' B' ' 36' ' ' ILE . 59.6 mt . . . . . 0 N--CA 1.464 0.268 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.852 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.609 ' HB2' HG11 ' B' ' 52' ' ' VAL . 6.2 mtmt . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.74 0.305 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.511 ' O ' HG22 ' B' ' 52' ' ' VAL . 6.6 tt0 174.32 175.16 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.724 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -16.72 61.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.092 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -81.4 -40.0 24.1 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.211 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.975 ' O ' HG23 ' B' ' 56' ' ' VAL . 14.5 m -64.66 -38.34 82.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.784 HG11 ' CG ' ' B' ' 33' ' ' LYS . 73.9 t -64.66 -51.29 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.104 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.3 -32.92 18.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.255 0.55 . . . . 0.0 109.712 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.1 OUTLIER -85.3 -30.75 23.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.448 178.361 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.975 HG23 ' O ' ' B' ' 52' ' ' VAL . 54.7 t -61.23 -48.21 90.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.642 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.443 ' HE1' ' N ' ' B' ' 29' ' ' LYS . 3.8 ptp -68.2 -39.36 82.46 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -32.79 74.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.121 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.711 HG23 ' HB2' ' D' ' 8' ' ' ASN . 33.6 m -77.02 -20.24 56.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.054 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.939 HD11 ' CD1' ' B' ' 76' ' ' PHE . 7.3 mt -98.73 -17.74 18.37 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.008 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -40.66 93.26 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.108 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.5 -31.5 9.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.419 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 179.15 38.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.65 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.75 5.7 22.51 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.915 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 63.09 24.71 14.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.616 0.246 . . . . 0.0 111.25 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.71 18.32 11.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.642 -0.79 . . . . 0.0 113.053 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.26 159.52 32.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.704 0.288 . . . . 0.0 110.434 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.0 86.51 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.703 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -74.31 -175.06 2.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.971 0.415 . . . . 0.0 110.375 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.669 ' CG ' HD12 ' B' ' 11' ' ' ILE . 0.2 OUTLIER -63.19 -35.6 80.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.767 -179.517 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.594 ' HA ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -74.2 -26.32 60.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.282 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.45 ' O ' HD22 ' B' ' 60' ' ' LEU . 5.1 mm-40 -77.87 -38.46 45.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.301 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -73.44 -31.92 64.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.564 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.431 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 6.7 mmm -61.86 -60.9 2.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' B' ' 79' ' ' MET . . . -60.5 -23.61 64.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.658 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.939 ' CD1' HD11 ' B' ' 60' ' ' LEU . 20.8 t80 -67.37 -71.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.903 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 81' ' ' THR . 22.9 t -45.53 -29.96 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.128 0.49 . . . . 0.0 110.669 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.679 ' O ' HG23 ' B' ' 82' ' ' THR . . . -86.0 -44.65 12.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.947 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' B' ' 76' ' ' PHE . 0.0 OUTLIER -69.56 -41.46 75.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.325 0.583 . . . . 0.0 110.499 -179.499 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.612 HG13 ' CZ2' ' D' ' 7' ' ' TRP . 57.7 t -64.68 -42.98 96.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.766 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.586 HG23 ' O ' ' B' ' 77' ' ' VAL . 53.6 p -73.27 -49.17 29.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.679 HG23 ' O ' ' B' ' 78' ' ' ALA . 12.9 p -46.4 -31.71 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.856 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' D' ' 1' ' ' THR . . . -80.55 -68.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -53.73 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.514 ' HB3' ' HB ' ' B' ' 81' ' ' THR . 8.7 t-160 -47.33 -20.27 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.939 0.399 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.481 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 30.2 tt0 -55.12 -65.66 0.54 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.019 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.19 -13.8 6.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.799 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 . . . . . 0 N--CA 1.451 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.615 179.456 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.693 0.282 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.72 -4.75 32.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.597 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.712 ' O ' HD12 ' C' ' 5' ' ' ILE . 0.5 OUTLIER -83.23 -1.07 52.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.857 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 0.958 HD13 ' CD1' ' C' ' 7' ' ' TRP . 1.9 pp 56.92 -13.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.125 0.97 . . . . 0.0 113.31 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.567 ' H ' ' C ' ' C' ' 4' ' ' LYS . 4.2 t70 43.41 59.98 2.79 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.958 ' CD1' HD13 ' C' ' 5' ' ' ILE . 10.9 m0 -98.7 -68.99 0.78 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.713 ' HB2' HG23 ' A' ' 59' ' ' THR . 0.8 OUTLIER 159.58 -95.88 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.311 178.51 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 -39.38 8.89 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.867 HG23 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.32 -59.72 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -177.451 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.867 HD12 HG23 ' C' ' 10' ' ' ILE . 1.0 OUTLIER -94.6 -18.37 21.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.074 0.464 . . . . 0.0 110.315 179.541 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 53.1 p . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.194 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 1' ' ' THR . . . . . 0.516 HG22 ' CG ' ' D' ' 6' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.671 0.272 . . . . 0.0 111.311 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.45 -71.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.8 -4.71 32.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.543 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 0.722 ' O ' HD12 ' D' ' 5' ' ' ILE . 0.5 OUTLIER -83.32 -1.05 52.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.752 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 0.938 HD13 ' CD1' ' D' ' 7' ' ' TRP . 1.9 pp 56.94 -13.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.103 0.961 . . . . 0.0 113.362 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' D' ' 4' ' ' LYS . 4.3 t70 43.43 59.9 2.82 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.938 ' CD1' HD13 ' D' ' 5' ' ' ILE . 10.9 m0 -98.7 -68.9 0.78 Allowed 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.711 ' HB2' HG23 ' B' ' 59' ' ' THR . 0.8 OUTLIER 159.51 -95.84 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.307 178.445 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 -39.44 8.86 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.833 HG23 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.23 -59.65 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -177.474 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.881 HD22 HG12 ' D' ' 5' ' ' ILE . 1.0 OUTLIER -94.55 -18.46 21.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.045 0.45 . . . . 0.0 110.323 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 53.0 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.235 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.802 0.334 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -56.09 -23.72 35.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.73 HD23 ' CE ' ' A' ' 7' ' ' MET . 1.3 tt -66.91 -49.95 63.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -74.64 -38.47 62.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.6 mtpp -67.36 -49.65 63.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.266 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -64.02 -51.92 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.533 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.73 ' CE ' HD23 ' A' ' 3' ' ' LEU . 7.4 ptp -50.86 -49.13 59.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.682 0.277 . . . . 0.0 110.785 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 7' ' ' MET . 52.0 t -78.42 -23.64 13.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.513 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -58.02 -42.6 85.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.268 0.556 . . . . 0.0 109.838 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.571 HD12 ' HD2' ' A' ' 73' ' ' PHE . 1.5 pp -72.0 -40.29 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.765 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.714 HG12 ' O ' ' A' ' 7' ' ' MET . 3.0 mm -62.26 -43.57 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.12 -43.82 20.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.772 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.621 HG12 ' HG ' ' A' ' 35' ' ' LEU . 38.4 t -57.0 -41.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.398 178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -77.48 -27.95 52.13 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.673 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.683 ' CD2' HG22 ' A' ' 11' ' ' ILE . 24.3 m-70 -73.32 -24.52 60.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.813 0.339 . . . . 0.0 111.311 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.81 -52.25 5.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.76 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.803 ' CG ' HD11 ' A' ' 35' ' ' LEU . 5.1 m-85 -83.75 -57.88 3.03 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 14' ' ' PHE . 3.3 t -36.37 -33.81 0.05 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.078 -1.058 . . . . 0.0 113.233 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.808 0.337 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 12.0 t-160 179.85 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.561 ' HG3' ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -111.47 156.81 21.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.725 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' A' ' 31' ' ' GLU . 4.8 mp -134.36 139.43 45.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.508 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 11.6 pttt -109.64 -178.39 3.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.243 0.544 . . . . 0.0 112.093 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.544 ' HB2' ' HE2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -45.6 -33.78 3.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.542 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -61.9 1.77 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.298 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.811 ' O ' HD22 ' A' ' 35' ' ' LEU . 3.2 mp0 -65.85 -59.13 4.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.779 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.716 HD12 ' CG1' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -41.84 -70.25 0.11 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.123 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.584 ' HG3' HG21 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -53.24 -28.26 26.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 111.339 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -60.45 -64.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.847 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.3 mm? -46.53 -32.31 3.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.999 0.428 . . . . 0.0 111.198 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.946 HG23 HD12 ' A' ' 40' ' ' LEU . 1.4 mt -53.27 -64.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.726 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.67 -7.94 59.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.716 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.535 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 4.6 t30 -86.16 -32.72 21.1 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.646 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 56.31 0.47 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.946 HD12 HG23 ' A' ' 36' ' ' ILE . 13.1 mt . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.728 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.833 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.608 0.242 . . . . 0.0 111.572 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER 170.31 178.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 0.0 111.29 -179.783 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -76.95 -18.26 58.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.819 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.08 -40.03 24.76 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.079 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.98 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.5 m -62.42 -44.83 99.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.716 ' CG1' HD12 ' A' ' 32' ' ' LEU . 55.7 t -67.04 -47.81 81.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.224 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.04 -37.55 46.05 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HB3' ' CG1' ' C' ' 10' ' ' ILE . 14.0 ttmt -79.51 -35.6 39.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.918 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.1 t -56.62 -55.69 18.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.019 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -32.31 70.66 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.37 -33.7 74.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.369 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.906 HG22 ' HB2' ' C' ' 8' ' ' ASN . 0.2 OUTLIER -64.64 -24.13 67.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.247 179.034 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.687 HD13 ' HB2' ' A' ' 76' ' ' PHE . 2.8 mt -106.91 -9.89 16.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.431 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -44.11 95.16 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 111.269 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.412 ' HB3' ' NE2' ' A' ' 71' ' ' GLN . 10.2 t-20 -71.22 -61.63 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.694 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.4 39.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.32 -56.64 0.87 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.232 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.24 33.46 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.28 . . . . 0.0 111.651 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 2.88 59.27 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.952 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.561 ' HB3' ' HG3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -96.25 -176.81 3.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.447 0.624 . . . . 0.0 110.46 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.587 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -112.53 86.64 2.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.444 -179.497 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 8.8 p-10 -85.66 -175.32 5.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.497 ' CE1' ' HA ' ' B' ' 86' ' ' GLU . 0.0 OUTLIER -61.06 -32.17 71.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.007 0.432 . . . . 0.0 110.758 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.423 ' HG2' ' HG2' ' A' ' 72' ' ' GLU . 8.7 pt20 -61.17 -36.12 78.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.067 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -76.74 -30.81 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.372 179.676 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' HD2' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -51.86 -50.12 61.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.377 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.579 ' HG3' HG23 ' B' ' 82' ' ' THR . 10.1 mmm -65.63 -62.63 1.4 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.499 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.47 -27.91 2.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.035 0.445 . . . . 0.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.687 ' HB2' HD13 ' A' ' 60' ' ' LEU . 48.8 t80 -74.12 -74.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.518 HG23 ' HE2' ' B' ' 7' ' ' MET . 2.2 p -54.79 -31.22 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.815 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -70.96 -50.21 37.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.333 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.8 mtm -74.54 -60.9 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.238 0.542 . . . . 0.0 111.134 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.849 HG13 ' NE1' ' C' ' 7' ' ' TRP . 62.6 t -43.08 -46.93 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.087 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 85' ' ' HIS . 1.4 t -70.1 -48.38 57.84 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.153 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.574 HG23 ' HG3' ' B' ' 74' ' ' MET . 1.2 p -51.19 -27.25 8.36 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.959 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -82.44 -67.65 0.77 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 p -86.96 -51.25 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.483 ' CB ' ' OG1' ' A' ' 81' ' ' THR . 50.4 t-80 -49.54 -23.45 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.063 0.459 . . . . 0.0 110.797 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' ' CE1' ' B' ' 70' ' ' PHE . 30.5 tt0 -49.15 -64.63 0.75 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.416 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.73 -25.17 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 179.097 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -56.16 -23.6 35.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.727 HD23 ' CE ' ' B' ' 7' ' ' MET . 1.3 tt -66.96 -49.95 63.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.68 -38.47 62.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 5.5 mtpp -67.27 -49.74 63.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.285 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -63.92 -51.98 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.556 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.727 ' CE ' HD23 ' B' ' 3' ' ' LEU . 7.4 ptp -50.87 -49.16 59.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.632 0.253 . . . . 0.0 110.775 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.57 HG23 ' HG3' ' B' ' 7' ' ' MET . 52.6 t -78.45 -23.53 13.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.508 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -58.12 -42.57 86.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.235 0.54 . . . . 0.0 109.784 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.577 HD12 ' HD2' ' B' ' 73' ' ' PHE . 1.5 pp -71.9 -40.41 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.79 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.705 HG12 ' O ' ' B' ' 7' ' ' MET . 2.9 mm -62.21 -43.54 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.11 -43.78 20.79 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.796 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.594 HG12 ' HG ' ' B' ' 35' ' ' LEU . 38.6 t -57.08 -41.24 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.416 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -77.47 -27.97 52.18 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.631 179.574 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.665 ' CD2' HG22 ' B' ' 11' ' ' ILE . 24.3 m-70 -73.42 -24.37 60.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.343 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.97 -52.12 5.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.702 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.795 ' CG ' HD11 ' B' ' 35' ' ' LEU . 5.2 m-85 -83.78 -57.86 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -178.038 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 14' ' ' PHE . 3.3 t -36.26 -33.92 0.05 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.56 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.139 -1.029 . . . . 0.0 113.213 -179.92 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.789 0.328 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' B' ' 69' ' ' ASP . 12.1 t-160 179.93 -34.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.546 ' HA ' ' HB3' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -111.41 156.81 21.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.735 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' B' ' 31' ' ' GLU . 4.8 mp -134.32 139.37 45.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.823 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 11.5 pttt -109.69 -178.4 3.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.256 0.55 . . . . 0.0 112.074 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.531 ' HB2' ' HE2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -45.59 -33.78 3.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.553 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -61.87 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.807 ' O ' HD22 ' B' ' 35' ' ' LEU . 3.2 mp0 -65.88 -59.18 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.759 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.716 HD12 ' CG1' ' B' ' 53' ' ' VAL . 0.9 OUTLIER -41.75 -70.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.128 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.595 ' HD2' ' HB ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -53.32 -28.13 26.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.892 0.377 . . . . 0.0 111.346 -179.609 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.454 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -60.5 -64.13 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.838 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.807 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.3 mm? -46.57 -32.33 3.36 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.097 0.475 . . . . 0.0 111.213 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.961 HG23 HD12 ' B' ' 40' ' ' LEU . 1.4 mt -53.18 -64.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.677 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.62 -7.89 59.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.532 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 4.6 t30 -86.29 -32.64 20.97 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.672 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 56.38 0.47 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.961 HD12 HG23 ' B' ' 36' ' ' ILE . 13.0 mt . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.646 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.843 ' HB2' HG11 ' B' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.615 0.245 . . . . 0.0 111.582 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.539 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.1 OUTLIER 170.28 178.41 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.107 0.479 . . . . 0.0 111.272 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.94 -18.21 58.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.797 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.05 -40.13 24.68 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.032 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 1.002 ' O ' HG23 ' B' ' 56' ' ' VAL . 26.0 m -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.716 ' CG1' HD12 ' B' ' 32' ' ' LEU . 54.9 t -66.9 -47.85 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.244 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.04 -37.51 45.79 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.441 ' HB3' ' CG1' ' D' ' 10' ' ' ILE . 14.1 ttmt -79.52 -35.6 39.77 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.241 -0.891 . . . . 0.0 108.921 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 1.002 HG23 ' O ' ' B' ' 52' ' ' VAL . 52.9 t -56.49 -55.71 17.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.066 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -32.3 70.68 Favored 'General case' 0 CA--C 1.523 -0.096 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.34 -33.62 74.63 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.465 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.914 HG22 ' HB2' ' D' ' 8' ' ' ASN . 0.2 OUTLIER -64.66 -24.09 67.47 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.269 178.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' B' ' 76' ' ' PHE . 2.8 mt -106.99 -9.93 16.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.367 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -44.09 95.08 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.912 0.387 . . . . 0.0 111.338 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASN . . . . . 0.411 ' HB3' ' NE2' ' B' ' 71' ' ' GLN . 10.2 t-20 -71.18 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.33 39.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.24 -56.5 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.254 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.2 33.28 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.684 0.278 . . . . 0.0 111.7 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.08 2.95 59.49 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.839 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.546 ' HB3' ' HG3' ' B' ' 26' ' ' LYS . 0.1 OUTLIER -96.19 -176.79 3.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 117.545 0.672 . . . . 0.0 110.411 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.585 ' CB ' HD23 ' B' ' 32' ' ' LEU . 0.1 OUTLIER -112.57 86.63 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.458 -179.612 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.546 ' HB3' ' HA ' ' B' ' 26' ' ' LYS . 8.9 p-10 -85.59 -175.34 5.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.5 ' CE1' ' HA ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -60.97 -32.25 71.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.997 0.427 . . . . 0.0 110.776 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.412 ' HG2' ' HG2' ' B' ' 72' ' ' GLU . 8.7 pt20 -61.1 -36.23 79.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.985 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.497 ' HB3' ' HB2' ' B' ' 60' ' ' LEU . 0.6 OUTLIER -76.74 -30.83 56.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.315 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.577 ' HD2' HD12 ' B' ' 10' ' ' LEU . 0.6 OUTLIER -51.93 -50.06 61.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.397 179.29 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.574 ' HG3' HG23 ' A' ' 82' ' ' THR . 10.1 mmm -65.7 -62.56 1.44 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.506 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.53 -27.91 3.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.953 0.406 . . . . 0.0 110.877 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.678 ' HB2' HD13 ' B' ' 60' ' ' LEU . 48.9 t80 -74.1 -74.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.473 HG23 ' HE2' ' A' ' 7' ' ' MET . 2.1 p -54.78 -31.11 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -71.01 -50.11 37.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.423 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.8 mtm -74.59 -60.91 2.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.162 0.506 . . . . 0.0 111.162 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.841 HG13 ' NE1' ' D' ' 7' ' ' TRP . 63.1 t -43.08 -46.89 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.123 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.471 ' OG1' ' CB ' ' B' ' 85' ' ' HIS . 1.4 t -70.14 -48.23 58.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.197 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.579 HG23 ' HG3' ' A' ' 74' ' ' MET . 1.2 p -51.34 -27.16 8.96 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.924 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -82.46 -67.67 0.77 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 8.3 p -86.92 -51.26 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.471 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 50.5 t-80 -49.6 -23.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.013 0.435 . . . . 0.0 110.72 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.497 ' HA ' ' CE1' ' A' ' 70' ' ' PHE . 30.5 tt0 -49.02 -64.77 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.411 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.66 -25.18 5.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.462 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.077 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 3' ' ' THR . . . . . 0.485 ' O ' HD13 ' C' ' 5' ' ' ILE . 66.9 p -98.41 -1.5 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.365 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.74 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -82.53 -2.02 52.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.923 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 0.74 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 47.2 10.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 123.445 0.698 . . . . 0.0 112.81 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.959 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 46.3 t0 53.59 17.4 1.17 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.849 ' NE1' HG13 ' A' ' 80' ' ' VAL . 19.6 m95 -71.52 -69.85 0.36 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.692 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.906 ' HB2' HG22 ' A' ' 59' ' ' THR . 6.7 m-20 146.86 -96.1 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.299 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.48 ' H ' HG23 ' A' ' 59' ' ' THR . 1.9 tmtt? -97.93 -44.2 6.78 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.676 HG23 HD12 ' C' ' 11' ' ' LEU . 0.1 OUTLIER -53.8 -58.83 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -177.634 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.676 HD12 HG23 ' C' ' 10' ' ' ILE . 2.4 mp -93.44 -15.74 25.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.919 0.39 . . . . 0.0 110.645 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 49.1 p . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.212 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 1' ' ' THR . . . . . 0.717 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.79 0.329 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -57.65 -71.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 3' ' ' THR . . . . . 0.488 ' O ' HD13 ' D' ' 5' ' ' ILE . 67.5 p -98.45 -1.54 41.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.345 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 0.752 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -82.53 -2.01 52.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.927 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 0.752 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 47.3 9.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.389 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.924 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 46.2 t0 53.63 17.29 1.16 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.841 ' NE1' HG13 ' B' ' 80' ' ' VAL . 19.7 m95 -71.4 -69.9 0.35 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.806 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.914 ' HB2' HG22 ' B' ' 59' ' ' THR . 6.6 m-20 146.88 -95.95 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.292 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 9' ' ' LYS . . . . . 0.495 ' H ' HG23 ' B' ' 59' ' ' THR . 1.9 tmtt? -97.99 -44.3 6.71 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.663 HG23 HD12 ' D' ' 11' ' ' LEU . 0.1 OUTLIER -53.78 -58.81 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -177.613 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.663 HD12 HG23 ' D' ' 10' ' ' ILE . 2.4 mp -93.45 -15.62 25.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 49.3 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.179 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.811 0.338 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.43 -36.09 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.212 0.529 . . . . 0.0 110.861 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.452 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 3.9 mt -59.04 -25.07 63.39 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -81.06 -46.93 14.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -76.49 -42.92 41.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.104 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -61.28 -35.94 78.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.963 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.497 ' O ' HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -61.91 -62.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.505 ' HA ' HG12 ' A' ' 11' ' ' ILE . 24.3 t -69.51 -22.09 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.751 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -58.57 -43.34 89.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.397 0.617 . . . . 0.0 109.832 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.797 HD21 ' HE1' ' A' ' 74' ' ' MET . 1.1 pp -70.43 -38.16 74.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.646 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.696 HD12 ' CE1' ' A' ' 70' ' ' PHE . 5.3 mm -62.83 -41.29 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.21 -40.92 35.42 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.419 HG12 ' HG ' ' A' ' 35' ' ' LEU . 29.9 t -57.57 -43.16 82.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.487 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.536 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -78.1 -37.29 46.75 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.368 179.474 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.495 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -68.54 -16.2 63.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.235 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.15 -51.86 6.73 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.277 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.692 ' CD1' HD11 ' A' ' 35' ' ' LEU . 5.6 m-85 -83.49 -56.32 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.376 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 14' ' ' PHE . 8.5 t -56.36 -40.73 75.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.031 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.807 0.336 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.56 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.6 t60 -155.13 41.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -166.64 155.37 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.88 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.702 HD23 ' HB3' ' A' ' 31' ' ' GLU . 3.0 mp -136.75 138.98 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.59 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -112.5 -173.43 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.183 0.516 . . . . 0.0 112.274 -178.801 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -51.34 -24.94 5.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.428 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.5 m -78.62 -55.89 4.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.943 0.401 . . . . 0.0 110.522 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.823 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -68.68 -59.97 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.124 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' A' ' 68' ' ' CYS . 1.0 OUTLIER -43.34 -69.51 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.621 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.76 ' HG3' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -48.61 -32.29 7.95 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 111.157 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -63.17 -62.77 1.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.52 -179.44 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.3 mm? -46.95 -34.16 5.27 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.039 0.447 . . . . 0.0 111.169 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.51 HG23 ' HG ' ' A' ' 40' ' ' LEU . 1.4 mt -52.28 -66.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.341 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -73.46 -17.04 61.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.574 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 16.0 t30 -71.63 -53.32 14.05 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.576 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG2' ' C ' ' A' ' 38' ' ' ASN . 8.5 mm-40 -154.85 61.49 0.66 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' HG ' HG23 ' A' ' 36' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.187 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.553 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.753 ' HB2' HG21 ' A' ' 52' ' ' VAL . 7.1 mtmm . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 52' ' ' VAL . 2.5 mt-10 166.11 172.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.734 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -21.34 62.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.894 0.378 . . . . 0.0 110.506 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -80.1 -41.19 26.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.958 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.7 m -63.65 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.76 HG11 ' HG3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -65.49 -43.78 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.31 -33.1 52.02 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -86.96 -30.11 21.54 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.249 178.133 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 52' ' ' VAL . 74.3 t -64.88 -51.35 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.1 mtp -61.0 -44.99 96.62 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.87 -36.52 83.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.579 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.967 HG23 ' HB3' ' C' ' 8' ' ' ASN . 16.5 m -79.58 -15.73 57.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.959 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.806 HD12 HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -91.86 -49.98 5.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.1 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -43.94 119.0 1.6 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.717 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -90.45 -51.91 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.58 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 178.03 44.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.78 -60.7 0.88 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.054 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.0 p30 174.44 30.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.626 0.251 . . . . 0.0 111.314 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.07 -14.89 57.85 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.395 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -91.85 178.01 6.02 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.05 0.452 . . . . 0.0 110.585 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.669 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -117.98 86.2 2.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.406 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.555 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 6.0 p-10 -79.68 -168.87 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.424 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.696 ' CE1' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -63.0 -34.51 77.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.967 0.413 . . . . 0.0 110.588 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -38.12 73.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.49 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 22.3 mm-40 -75.79 -24.46 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.423 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.654 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -60.73 -65.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.728 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.797 ' HE1' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -55.75 -44.79 77.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.279 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -59.34 -40.92 87.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.208 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.733 ' HB2' HD21 ' A' ' 60' ' ' LEU . 51.4 t80 -65.23 -74.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.705 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 73' ' ' PHE . 3.4 m -44.03 -31.49 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.245 0.545 . . . . 0.0 110.65 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.476 ' HA ' ' HB3' ' B' ' 74' ' ' MET . . . -85.31 -33.43 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.145 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.506 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -85.68 -39.46 17.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.49 . . . . 0.0 111.456 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.802 HG13 ' NE1' ' C' ' 7' ' ' TRP . 27.2 t -68.54 -49.76 62.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.659 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.488 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -71.54 -51.02 25.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.1 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.551 ' HA ' ' CZ ' ' B' ' 70' ' ' PHE . 35.1 m -47.97 -30.14 4.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.679 0.276 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -72.42 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.761 0.315 . . . . 0.0 111.315 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.9 p -87.78 -49.19 7.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.488 ' HB3' ' O ' ' A' ' 81' ' ' THR . 35.5 t60 -47.34 -24.03 0.69 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.88 0.372 . . . . 0.0 110.992 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.496 ' HA ' ' CE2' ' B' ' 70' ' ' PHE . 27.9 tt0 -50.82 -65.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.758 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.89 -18.52 7.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CZ ' ' HB ' ' C' ' 3' ' ' THR . 21.9 m-85 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.691 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.91 0.386 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -60.46 -35.94 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.267 0.555 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.424 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 3.9 mt -59.08 -25.19 63.57 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -81.05 -46.9 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -76.52 -42.94 41.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.091 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -61.26 -35.93 78.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.989 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.5 ' O ' HG12 ' B' ' 11' ' ' ILE . 1.0 OUTLIER -61.98 -62.95 1.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.425 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.49 ' HA ' HG12 ' B' ' 11' ' ' ILE . 23.9 t -69.5 -22.08 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.769 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -58.66 -43.19 89.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.397 0.618 . . . . 0.0 109.847 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.714 HD21 ' CE ' ' B' ' 74' ' ' MET . 1.1 pp -70.52 -38.22 74.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.644 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.69 HD12 ' CE1' ' B' ' 70' ' ' PHE . 5.3 mm -62.65 -41.5 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.01 -40.98 33.06 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.413 HG12 ' HG ' ' B' ' 35' ' ' LEU . 30.1 t -57.61 -43.12 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.512 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.536 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -78.17 -37.29 46.15 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.284 179.469 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.49 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -68.55 -16.21 63.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.15 -51.83 6.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.694 ' CD1' HD11 ' B' ' 35' ' ' LEU . 5.6 m-85 -83.58 -56.4 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' B' ' 14' ' ' PHE . 8.5 t -56.27 -40.8 74.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.289 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.224 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.875 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.56 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 1.6 t60 -155.1 41.79 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 0.1 OUTLIER -166.6 155.38 10.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.909 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' B' ' 31' ' ' GLU . 2.9 mp -136.69 139.06 41.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.562 179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.463 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -112.6 -173.51 2.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.22 0.533 . . . . 0.0 112.219 -178.847 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -51.11 -25.11 4.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.481 -179.794 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 62.8 m -78.46 -55.99 4.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.987 0.422 . . . . 0.0 110.587 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.814 ' O ' HD22 ' B' ' 35' ' ' LEU . 0.8 OUTLIER -68.62 -60.03 2.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.096 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' B' ' 68' ' ' CYS . 1.0 OUTLIER -43.26 -69.5 0.13 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.686 -179.546 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.746 ' HG3' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -48.57 -32.46 8.11 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 111.074 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -63.04 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.5 -179.402 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.814 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.3 mm? -46.88 -34.26 5.26 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.087 0.47 . . . . 0.0 111.209 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.492 HG23 ' HG ' ' B' ' 40' ' ' LEU . 1.4 mt -52.18 -66.69 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.392 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -73.47 -17.01 61.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.624 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.451 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 16.0 t30 -71.71 -53.24 14.12 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.576 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' HG2' ' C ' ' B' ' 38' ' ' ASN . 8.6 mm-40 -154.79 61.43 0.66 Allowed 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.492 ' HG ' HG23 ' B' ' 36' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.199 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.604 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.761 ' HB2' HG21 ' B' ' 52' ' ' VAL . 7.1 mtmm . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.497 ' O ' HG22 ' B' ' 52' ' ' VAL . 2.5 mt-10 166.1 172.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.319 . . . . 0.0 110.665 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -21.24 62.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.534 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -80.21 -41.19 25.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.95 ' O ' HG23 ' B' ' 56' ' ' VAL . 13.6 m -63.67 -40.13 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.746 HG11 ' HG3' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -65.46 -43.87 94.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.842 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.29 -33.03 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -87.06 -30.14 21.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.233 178.103 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.95 HG23 ' O ' ' B' ' 52' ' ' VAL . 75.0 t -64.75 -51.46 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.374 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 26.0 mtp -60.88 -45.04 96.14 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.73 -36.69 83.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.562 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.949 HG23 ' CB ' ' D' ' 8' ' ' ASN . 16.5 m -79.47 -15.78 57.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.923 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.797 HD12 HG12 ' B' ' 56' ' ' VAL . 0.3 OUTLIER -91.89 -49.99 5.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.057 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -43.95 119.02 1.6 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.689 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -90.46 -51.83 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.648 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.99 44.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.4 ' HA3' ' HZ1' ' B' ' 26' ' ' LYS . . . -98.85 -60.71 0.88 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.043 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.9 p30 174.43 31.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.544 0.211 . . . . 0.0 111.18 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.11 -14.96 57.72 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.314 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.463 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -91.86 178.08 6.0 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 117.126 0.463 . . . . 0.0 110.626 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.669 ' HB3' HD23 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -118.06 86.13 2.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.387 179.697 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.558 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 6.0 p-10 -79.57 -168.84 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.69 ' CE1' HD12 ' B' ' 11' ' ' ILE . 0.6 OUTLIER -63.04 -34.5 77.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.914 0.388 . . . . 0.0 110.572 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -38.17 73.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.414 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.433 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 22.3 mm-40 -75.77 -24.35 56.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.362 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -60.84 -65.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.745 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.714 ' CE ' HD21 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -55.72 -44.78 77.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.252 -179.697 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -59.47 -40.88 88.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.182 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.743 ' HB2' HD21 ' B' ' 60' ' ' LEU . 51.5 t80 -65.26 -74.76 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.65 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 73' ' ' PHE . 3.4 m -44.1 -31.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 121.194 0.521 . . . . 0.0 110.579 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.462 ' HA ' ' HB3' ' A' ' 74' ' ' MET . . . -85.3 -33.45 22.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.159 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER -85.77 -39.41 17.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 111.361 -179.36 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.803 HG13 ' NE1' ' D' ' 7' ' ' TRP . 27.9 t -68.61 -49.7 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.619 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -71.53 -50.99 25.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.054 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 70' ' ' PHE . 36.0 m -48.07 -30.0 4.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.717 0.294 . . . . 0.0 111.032 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.46 -72.32 0.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.27 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.8 p -87.88 -49.16 7.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' B' ' 81' ' ' THR . 35.7 t60 -47.3 -23.98 0.67 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 111.031 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.496 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 27.9 tt0 -50.92 -65.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.814 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.01 -18.48 6.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.471 ' CZ ' ' HB ' ' D' ' 3' ' ' THR . 21.9 m-85 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.683 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.829 0.347 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 3' ' ' THR . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 88' ' ' PHE . 3.9 t -98.32 -3.33 37.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.451 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.762 ' O ' HD12 ' C' ' 5' ' ' ILE . 4.8 tmtt? -80.55 -1.51 42.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.075 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 0.958 HD13 ' CD1' ' C' ' 7' ' ' TRP . 1.8 pp 55.09 -8.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' C' ' 4' ' ' LYS . 13.3 t0 39.94 57.23 2.35 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.958 ' CD1' HD13 ' C' ' 5' ' ' ILE . 8.6 m95 -93.86 -69.07 0.77 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.967 ' HB3' HG23 ' A' ' 59' ' ' THR . 18.3 t-20 165.15 -103.26 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.05 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.93 -34.18 10.55 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.862 HG23 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.47 -60.04 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -177.925 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.862 HD12 HG23 ' C' ' 10' ' ' ILE . 1.0 OUTLIER -95.31 -22.84 17.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.164 0.507 . . . . 0.0 110.11 179.441 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 20.7 p . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.023 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 1' ' ' THR . . . . . 0.441 HG22 ' CG ' ' D' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.741 0.305 . . . . 0.0 111.179 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -56.67 -71.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.757 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 3' ' ' THR . . . . . 0.471 ' HB ' ' CZ ' ' B' ' 88' ' ' PHE . 3.9 t -98.36 -3.31 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.41 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 0.774 ' O ' HD12 ' D' ' 5' ' ' ILE . 4.8 tmtt? -80.52 -1.59 42.52 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.032 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 0.948 HD13 ' CD1' ' D' ' 7' ' ' TRP . 1.8 pp 55.12 -8.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' D' ' 4' ' ' LYS . 13.4 t0 40.03 57.22 2.4 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.948 ' CD1' HD13 ' D' ' 5' ' ' ILE . 8.6 m95 -93.85 -69.06 0.77 Allowed 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.949 ' CB ' HG23 ' B' ' 59' ' ' THR . 18.3 t-20 165.18 -103.35 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.95 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.76 -34.21 10.6 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.891 HG23 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.47 -59.99 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.89 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.891 HD12 HG23 ' D' ' 10' ' ' ILE . 1.0 OUTLIER -95.38 -22.83 17.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.184 0.516 . . . . 0.0 110.099 179.555 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 20.4 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.065 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.768 0.318 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.702 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.7 OUTLIER -55.67 -37.3 68.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.144 0.497 . . . . 0.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.465 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 2.0 mp -53.68 -36.58 62.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.974 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.83 -35.45 67.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.749 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -77.23 -37.64 52.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.28 80.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.554 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -67.2 -50.56 60.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.573 ' HA ' HG13 ' A' ' 11' ' ' ILE . 22.0 t -76.22 -27.39 17.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.691 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.731 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -56.96 -42.46 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 109.27 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.93 -53.4 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.325 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.623 HD11 ' CE1' ' B' ' 85' ' ' HIS . 1.4 mt -51.53 -53.61 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.98 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' OD2' HG12 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -42.42 -37.64 1.65 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.051 0.453 . . . . 0.0 110.358 179.729 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.729 HG12 HD11 ' A' ' 35' ' ' LEU . 38.4 t -67.44 -48.28 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.539 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.607 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -76.15 -25.99 55.83 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.775 0.322 . . . . 0.0 111.115 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -81.01 -18.17 47.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.17 -179.71 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -83.59 -41.57 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.307 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.469 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 2.0 m-85 -83.07 -70.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.531 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 1.2 t -59.49 125.73 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.369 179.866 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 1.1 tmtp? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.678 0.275 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.447 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 12.8 t-160 83.48 -36.03 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.708 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.98 163.67 13.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.81 0.338 . . . . 0.0 110.391 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 4.9 mp -136.31 141.08 43.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.549 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -102.64 174.36 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.959 0.409 . . . . 0.0 111.617 -179.225 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 2.2 mttt -48.76 -27.83 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.756 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 1.9 m -79.57 -47.9 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.733 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HB3' HD23 ' A' ' 27' ' ' LEU . 5.9 mm-40 -62.74 -68.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.314 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.96 -68.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.893 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.913 ' HG3' HG11 ' A' ' 53' ' ' VAL . 12.6 ttmt -44.98 -66.41 0.4 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.926 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 30' ' ' SER . 11.9 mm-40 -46.74 -43.12 17.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.729 HD11 HG12 ' A' ' 13' ' ' VAL . 1.2 tt -60.38 -45.45 93.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.275 0.56 . . . . 0.0 110.378 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.706 HG23 HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -54.7 -58.16 4.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.084 179.624 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' N ' HG22 ' A' ' 36' ' ' ILE . 2.9 t-20 -61.03 -20.11 62.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.239 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -82.92 -34.21 26.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.028 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -114.49 21.34 14.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.639 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.706 HD12 HG23 ' A' ' 36' ' ' ILE . 28.0 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.689 0.28 . . . . 0.0 110.728 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.689 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -177.15 173.97 1.73 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.468 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.41 -34.81 58.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.994 0.425 . . . . 0.0 110.667 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.27 -41.85 80.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.276 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.941 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.2 m -61.19 -44.74 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.159 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.913 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.0 t -52.8 -49.01 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.8 0.333 . . . . 0.0 110.667 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -52.05 -48.36 64.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.092 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HB3' HG12 ' C' ' 10' ' ' ILE . 22.9 ttmt -68.76 -31.84 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.719 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 52' ' ' VAL . 93.1 t -63.64 -59.13 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.935 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.411 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -57.66 -24.02 54.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.015 0.436 . . . . 0.0 110.001 178.826 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -37.83 28.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.402 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.678 HG23 ' H ' ' C' ' 9' ' ' LYS . 26.2 m -74.06 -7.36 52.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.089 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.568 HD11 HG12 ' A' ' 56' ' ' VAL . 1.5 mt -113.0 -12.55 13.21 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.74 125.83 10.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.733 0.302 . . . . 0.0 110.594 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.28 -51.66 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.252 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.95 44.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.905 0.383 . . . . 0.0 111.148 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA2' ' HD3' ' A' ' 26' ' ' LYS . . . -114.95 7.66 21.62 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.366 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.56 24.59 13.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.926 0.393 . . . . 0.0 110.481 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.88 -20.2 5.74 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.356 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -90.93 -179.83 5.58 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.023 0.439 . . . . 0.0 110.456 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.45 ' CB ' ' HG2' ' A' ' 72' ' ' GLU . 1.7 m -120.92 104.44 9.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.708 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -94.68 -176.97 4.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.322 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.543 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 29.9 t80 -58.94 -18.97 38.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.243 0.545 . . . . 0.0 110.494 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.91 -41.57 97.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.73 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 1.5 pp20? -78.2 -21.06 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.414 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.84 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -55.78 -51.84 66.03 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.587 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.461 ' HB3' ' CB ' ' B' ' 78' ' ' ALA . 21.0 mmt -63.48 -53.39 52.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.1 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.23 -33.45 65.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.67 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HA ' HD22 ' A' ' 60' ' ' LEU . 57.7 t80 -65.85 -75.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -52.26 -26.01 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.039 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' B' ' 74' ' ' MET . . . -82.59 -46.36 13.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.9 mtm -70.62 -54.0 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 0.0 110.575 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.65 HG22 ' CD2' ' C' ' 7' ' ' TRP . 85.7 t -56.04 -42.06 70.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.985 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.767 HG23 ' CG ' ' A' ' 85' ' ' HIS . 3.4 m -65.97 -60.96 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.601 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -42.94 -29.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.599 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -77.4 -72.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.409 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 4.5 p -89.38 -56.01 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.767 ' CG ' HG23 ' A' ' 81' ' ' THR . 28.3 t-80 -43.4 -26.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.118 0.485 . . . . 0.0 110.957 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -49.73 -64.08 0.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.553 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.15 -26.36 8.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.788 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.525 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.561 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.725 0.298 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.731 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.7 OUTLIER -55.66 -37.23 68.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.06 0.457 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.463 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 2.0 mp -53.7 -36.6 62.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.81 -35.49 67.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.734 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -77.25 -37.69 52.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.22 80.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.551 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -67.17 -50.77 59.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.568 ' HA ' HG13 ' B' ' 11' ' ' ILE . 22.0 t -76.13 -27.37 17.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.691 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -56.92 -42.42 79.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.61 0.719 . . . . 0.0 109.246 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.12 -53.25 52.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.29 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.568 HG13 ' HA ' ' B' ' 8' ' ' VAL . 1.4 mt -51.53 -53.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.968 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.427 ' OD2' HG12 ' B' ' 8' ' ' VAL . 0.7 OUTLIER -42.31 -37.72 1.61 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.055 0.455 . . . . 0.0 110.327 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.751 HG12 HD11 ' B' ' 35' ' ' LEU . 38.3 t -67.52 -48.14 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.517 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.61 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -76.29 -25.94 55.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 111.097 -179.786 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -81.02 -18.16 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.208 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -83.62 -41.52 17.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 110.352 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.463 ' CE1' ' HG ' ' B' ' 35' ' ' LEU . 2.0 m-85 -83.12 -70.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.17 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.53 ' HB2' ' HG ' ' B' ' 27' ' ' LEU . 1.2 t -59.53 125.75 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.968 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.44 179.904 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' B' ' 25' ' ' HIS . 1.1 tmtp? . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.705 0.288 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.45 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 12.8 t-160 83.5 -36.02 0.07 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.517 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.69 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.0 163.67 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.341 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.53 ' HG ' ' HB2' ' B' ' 18' ' ' SER . 4.9 mp -136.26 141.18 43.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.528 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.2 OUTLIER -102.79 174.3 5.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.958 0.409 . . . . 0.0 111.567 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 2.2 mttt -48.62 -27.82 3.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.806 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' B' ' 34' ' ' GLU . 1.9 m -79.6 -47.93 14.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.723 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.501 ' HB3' HD23 ' B' ' 27' ' ' LEU . 5.9 mm-40 -62.78 -68.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 111.273 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.92 -68.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.879 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.892 ' HG3' HG11 ' B' ' 53' ' ' VAL . 12.7 ttmt -44.98 -66.3 0.42 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.921 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' B' ' 30' ' ' SER . 12.0 mm-40 -46.89 -43.0 18.43 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.887 0.375 . . . . 0.0 110.949 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.751 HD11 HG12 ' B' ' 13' ' ' VAL . 1.2 tt -60.47 -45.41 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.353 0.597 . . . . 0.0 110.387 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.701 HG23 HD12 ' B' ' 40' ' ' LEU . 0.9 OUTLIER -54.69 -58.24 4.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.055 179.572 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.439 ' N ' HG22 ' B' ' 36' ' ' ILE . 0.1 OUTLIER -61.03 -19.98 62.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.306 178.875 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -82.99 -34.11 26.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.034 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.58 21.36 14.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.633 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.701 HD12 HG23 ' B' ' 36' ' ' ILE . 27.8 mt . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.76 0.314 . . . . 0.0 110.84 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.406 ' HG2' HG11 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.761 0.315 . . . . 0.0 110.772 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.694 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.5 OUTLIER -177.21 173.93 1.71 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.386 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.36 -34.81 58.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 110.661 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.33 -41.81 80.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.304 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.933 ' O ' HG23 ' B' ' 56' ' ' VAL . 24.8 m -61.21 -44.83 99.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.078 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.892 HG11 ' HG3' ' B' ' 33' ' ' LYS . 2.0 t -52.79 -49.06 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.746 0.308 . . . . 0.0 110.7 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -51.93 -48.31 64.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.911 0.386 . . . . 0.0 110.191 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.42 ' HB3' HG12 ' D' ' 10' ' ' ILE . 22.9 ttmt -68.71 -31.94 71.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.734 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.933 HG23 ' O ' ' B' ' 52' ' ' VAL . 92.9 t -63.6 -59.23 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.833 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.404 ' HA ' HD12 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -57.64 -24.01 54.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.031 0.443 . . . . 0.0 110.029 178.884 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.97 -37.67 28.93 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.399 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.684 HG23 ' H ' ' D' ' 9' ' ' LYS . 26.2 m -74.12 -7.39 52.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.115 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.582 HD11 HG12 ' B' ' 56' ' ' VAL . 1.6 mt -113.01 -12.48 13.22 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.77 125.83 10.87 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.742 0.306 . . . . 0.0 110.66 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.25 -51.62 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.309 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.93 44.72 0.58 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.148 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.421 ' HA2' ' HD3' ' B' ' 26' ' ' LYS . . . -115.03 7.52 21.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.324 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.71 24.47 13.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.442 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.85 -20.07 5.76 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.342 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.457 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -90.96 -179.92 5.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.01 0.433 . . . . 0.0 110.44 179.715 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.443 ' CB ' ' HG2' ' B' ' 72' ' ' GLU . 1.7 m -120.81 104.43 9.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.65 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.69 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -94.78 -176.9 4.01 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.366 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.533 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 30.1 t80 -59.15 -18.74 38.79 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.205 0.526 . . . . 0.0 110.449 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -64.1 -41.54 97.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 1.5 pp20? -78.07 -21.22 50.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.844 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -55.66 -51.96 65.48 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.611 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.458 ' HB3' ' CB ' ' A' ' 78' ' ' ALA . 20.8 mmt -63.36 -53.43 52.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.159 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.36 65.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.744 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.473 ' HA ' HD22 ' B' ' 60' ' ' LEU . 58.3 t80 -65.82 -75.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.512 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.844 HG22 ' O ' ' B' ' 73' ' ' PHE . 0.9 OUTLIER -52.29 -26.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.993 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -82.49 -46.26 13.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.0 mtm -70.63 -53.99 13.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.167 0.508 . . . . 0.0 110.554 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.649 HG22 ' CD2' ' D' ' 7' ' ' TRP . 85.3 t -56.09 -42.05 71.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.921 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.769 HG23 ' CG ' ' B' ' 85' ' ' HIS . 3.3 m -65.93 -61.06 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.53 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -42.89 -29.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.646 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -77.46 -72.3 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.34 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.52 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 4.5 p -89.34 -56.08 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.769 ' CG ' HG23 ' B' ' 81' ' ' THR . 6.4 t60 -43.29 -26.4 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.113 0.482 . . . . 0.0 110.964 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -49.75 -64.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.514 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.17 -26.24 8.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.735 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.559 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 2' ' ' ARG . . . . . 0.487 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.228 -0.037 0 CA-C-O 120.819 0.342 . . . . 0.0 110.58 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -98.72 1.78 46.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.141 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 1.023 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -81.45 -1.86 47.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.035 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 1.023 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 32.63 39.54 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 121.461 0.648 . . . . 0.0 111.16 -179.283 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' C' ' 12' ' ' SER . 31.0 t0 -57.52 81.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.875 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.65 ' CD2' HG22 ' A' ' 80' ' ' VAL . 34.8 m0 -71.7 -54.71 9.44 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' C' ' 12' ' ' SER . 17.6 t-20 172.35 -82.57 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.444 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.678 ' H ' HG23 ' A' ' 59' ' ' THR . 0.9 OUTLIER -97.95 -55.54 2.76 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.562 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.594 HG23 ' CD2' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.04 -59.63 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -177.661 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.594 ' CD2' HG23 ' C' ' 10' ' ' ILE . 4.0 mm? -87.35 -11.7 48.59 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.192 0.52 . . . . 0.0 109.854 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.515 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 19.9 p . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.043 -0.98 . . . . 0.0 111.392 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.661 0.267 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 2' ' ' ARG . . . . . 0.493 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -52.61 -71.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.56 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -98.73 1.77 46.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 1.008 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -81.36 -2.04 47.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.016 179.774 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 1.008 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 32.72 39.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 121.394 0.616 . . . . 0.0 111.165 -179.214 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.436 ' HB2' ' HD3' ' D' ' 4' ' ' LYS . 31.0 t0 -57.57 82.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.843 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.649 ' CD2' HG22 ' B' ' 80' ' ' VAL . 34.8 m0 -71.7 -54.69 9.5 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' D' ' 12' ' ' SER . 17.5 t-20 172.23 -82.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.429 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 9' ' ' LYS . . . . . 0.684 ' H ' HG23 ' B' ' 59' ' ' THR . 0.9 OUTLIER -97.85 -55.59 2.75 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.594 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.587 HG23 ' CD2' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.1 -59.58 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.594 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.588 HD12 ' CG1' ' D' ' 5' ' ' ILE . 4.0 mm? -87.34 -11.75 48.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.214 0.53 . . . . 0.0 109.776 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 19.6 p . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.068 -0.968 . . . . 0.0 111.4 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.863 0.363 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.516 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 1.7 mt-10 -58.62 -23.15 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 1.032 HD13 HD21 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -72.96 -25.8 61.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.08 -47.32 15.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -69.88 -49.78 48.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.154 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -55.75 -37.85 69.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 0.0 111.242 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -68.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 110.402 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.527 HG12 ' OD1' ' A' ' 12' ' ' ASP . 20.0 t -65.96 -25.36 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.839 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -51.3 -43.3 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.088 0.47 . . . . 0.0 110.409 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.724 HD13 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -73.47 -47.32 42.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.26 179.256 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.476 HG22 ' ND1' ' A' ' 15' ' ' HIS . 6.9 mm -54.4 -50.64 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.178 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ASP . . . . . 0.527 ' OD1' HG12 ' A' ' 8' ' ' VAL . 1.1 m-20 -51.42 -52.34 46.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.432 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 9' ' ' ALA . 21.7 t -45.48 -48.2 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.855 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.82 ' CD2' HD13 ' A' ' 27' ' ' LEU . 2.6 m-30 -81.24 -33.28 32.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 110.473 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.476 ' ND1' HG22 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -66.26 -22.89 66.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.034 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 17' ' ' TYR . 8.4 pt20 -84.47 -44.11 13.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.7 0.286 . . . . 0.0 110.811 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.734 ' CG ' HD11 ' A' ' 35' ' ' LEU . 3.6 m-85 -83.18 -50.94 7.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.387 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 27' ' ' LEU . 10.2 t -58.97 -49.18 78.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.227 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.251 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.985 -179.703 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 tttt . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.676 0.274 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 69' ' ' ASP . 15.9 t-160 -125.09 -36.96 2.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.687 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.81 160.67 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.13 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.834 HD23 ' HB3' ' A' ' 31' ' ' GLU . 5.7 mp -135.26 141.72 45.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.918 0.39 . . . . 0.0 110.739 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 7.2 ptmt -93.04 -178.94 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.775 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 4.9 mptt -51.33 -27.73 10.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.366 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.08 -41.15 18.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.057 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.834 ' HB3' HD23 ' A' ' 27' ' ' LEU . 21.6 mt-10 -75.73 -56.83 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.497 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.0 tm? -50.05 -59.9 3.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.899 0.38 . . . . 0.0 111.467 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.701 ' CG ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -58.08 -32.14 67.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 -179.511 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -53.46 -50.28 65.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.073 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.734 HD11 ' CG ' ' A' ' 17' ' ' TYR . 1.6 mm? -65.09 -30.87 71.86 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.816 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 1.018 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.6 mt -60.96 -48.17 90.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.334 0.588 . . . . 0.0 109.579 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -10.28 58.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.615 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.482 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 9.3 t-20 -92.99 -34.67 13.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.589 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.616 ' O ' HD23 ' A' ' 40' ' ' LEU . 48.9 mt-10 -156.03 46.57 0.47 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.127 HD21 HD13 ' B' ' 3' ' ' LEU . 85.0 mt . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 110.585 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.793 0.33 . . . . 0.0 111.579 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.775 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -164.22 -178.52 5.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.556 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.61 -34.02 58.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.043 0.449 . . . . 0.0 110.276 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.19 -42.08 76.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.058 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.2 m -60.61 -43.81 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.673 0.273 . . . . 0.0 110.805 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.911 ' HA ' HG12 ' A' ' 56' ' ' VAL . 2.7 t -53.02 -68.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.706 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 3.5 t0 -43.53 -32.15 0.86 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HB3' HG12 ' C' ' 10' ' ' ILE . 18.1 ttmt -84.37 -40.72 17.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.897 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.911 HG12 ' HA ' ' A' ' 53' ' ' VAL . 11.2 p -70.77 -35.36 60.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.692 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -77.16 -26.73 53.3 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.854 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 17.5 mt-10 -79.79 -38.41 33.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.937 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.808 HG23 ' H ' ' C' ' 9' ' ' LYS . 43.2 m -57.52 -21.41 37.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.525 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.758 HD21 ' CD1' ' A' ' 76' ' ' PHE . 1.5 mt -92.18 -24.13 19.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.821 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.81 107.93 0.2 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -128.74 -45.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -156.22 41.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 7.72 54.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.714 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.35 27.23 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.89 23.78 11.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.664 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -141.65 177.59 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.354 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.43 ' HB2' ' HE2' ' A' ' 57' ' ' MET . 0.2 OUTLIER -112.04 88.85 2.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.687 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -78.9 -173.0 3.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.618 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.558 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.21 -23.05 61.19 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.09 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 1.2 pt20 -69.87 -30.3 67.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 0.0 110.676 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.445 ' HB3' ' HB3' ' A' ' 60' ' ' LEU . 2.1 mt-10 -70.61 -38.37 73.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -77.29 -20.47 54.98 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.307 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.724 ' SD ' HD13 ' A' ' 10' ' ' LEU . 12.7 mmm -68.72 -42.68 77.32 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -72.83 -26.06 61.35 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.763 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.8 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 45.4 t80 -64.1 -70.0 0.25 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.49 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.477 ' O ' ' HB ' ' A' ' 81' ' ' THR . 1.4 p -48.23 -29.56 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 121.177 0.513 . . . . 0.0 110.381 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -84.68 -35.63 22.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.163 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.8 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 6.0 ptp -81.81 -44.44 16.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.029 0.442 . . . . 0.0 111.237 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.738 HG13 ' NE1' ' C' ' 7' ' ' TRP . 93.0 t -68.15 -40.79 83.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.34 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.691 ' HA ' ' HB2' ' A' ' 85' ' ' HIS . 6.4 t -63.55 -49.67 72.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.196 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.448 ' N ' HG23 ' A' ' 81' ' ' THR . 62.5 m -51.85 -39.3 58.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.091 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -65.98 -72.5 0.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.714 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' C' ' 2' ' ' ARG . 0.0 OUTLIER -88.7 -55.85 3.54 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.003 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 1.6 t-80 -43.62 -24.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.803 0.335 . . . . 0.0 111.49 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.7 tm-20 -43.83 -63.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.762 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.85 -5.89 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.72 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.834 ' CZ ' HG23 ' C' ' 3' ' ' THR . 35.3 m-85 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.874 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.512 ' HG2' ' HB1' ' A' ' 9' ' ' ALA . 1.7 mt-10 -58.62 -23.14 58.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.25 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 1.127 HD13 HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -72.96 -25.88 61.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.873 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -47.32 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -69.84 -49.85 48.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.109 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -55.64 -37.99 68.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 111.2 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -68.34 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.37 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.537 HG12 ' OD1' ' B' ' 12' ' ' ASP . 19.7 t -65.9 -25.46 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.896 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.751 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -51.31 -43.28 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.001 0.429 . . . . 0.0 110.366 179.464 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.716 HD13 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -73.54 -47.33 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.192 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.487 HG22 ' ND1' ' B' ' 15' ' ' HIS . 7.0 mm -54.47 -50.52 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ASP . . . . . 0.537 ' OD1' HG12 ' B' ' 8' ' ' VAL . 1.1 m-20 -51.43 -52.34 47.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.445 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.751 HG23 ' O ' ' B' ' 9' ' ' ALA . 21.7 t -45.52 -48.16 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.839 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.813 ' CD2' HD13 ' B' ' 27' ' ' LEU . 2.6 m-30 -81.23 -33.27 32.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.487 ' ND1' HG22 ' B' ' 11' ' ' ILE . 1.0 OUTLIER -66.29 -22.85 66.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.971 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 16' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' B' ' 17' ' ' TYR . 8.5 pt20 -84.46 -44.08 14.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.736 ' CG ' HD11 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.28 -50.87 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.347 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.503 ' HB2' HD11 ' B' ' 27' ' ' LEU . 10.3 t -59.08 -49.08 79.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.198 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.01 -179.699 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 tttt . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.723 0.297 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.404 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 15.9 t-160 -125.03 -36.96 2.48 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.681 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.82 160.58 16.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.14 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.832 HD23 ' HB3' ' B' ' 31' ' ' GLU . 5.7 mp -135.21 141.76 45.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.801 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.413 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 7.2 ptmt -93.01 -179.02 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.809 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 4.9 mptt -51.19 -27.81 9.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.393 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -41.15 19.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.073 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.832 ' HB3' HD23 ' B' ' 27' ' ' LEU . 21.6 mt-10 -75.8 -56.84 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.455 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.577 HD13 ' C ' ' B' ' 32' ' ' LEU . 3.0 tm? -50.12 -59.87 3.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 0.0 111.43 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.7 ' CG ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -58.13 -32.12 67.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.295 -179.487 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -53.35 -50.34 65.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.736 HD11 ' CG ' ' B' ' 17' ' ' TYR . 1.6 mm? -65.14 -30.77 71.73 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.013 0.435 . . . . 0.0 110.838 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 1.004 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.6 mt -60.98 -48.23 89.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.359 0.6 . . . . 0.0 109.613 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.04 -10.32 58.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.579 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.476 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 9.2 t-20 -92.99 -34.66 13.64 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.64 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.624 ' O ' HD23 ' B' ' 40' ' ' LEU . 49.0 mt-10 -156.01 46.64 0.47 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 1.032 HD21 HD13 ' A' ' 3' ' ' LEU . 84.7 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.781 0.325 . . . . 0.0 111.645 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.785 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -164.28 -178.53 5.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.586 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.61 -33.96 58.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.092 0.473 . . . . 0.0 110.326 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.17 -42.11 76.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.081 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.502 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.2 m -60.66 -43.91 95.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.711 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.892 ' HA ' HG12 ' B' ' 56' ' ' VAL . 2.7 t -52.87 -68.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.717 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 3.5 t0 -43.54 -32.19 0.87 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.473 ' HB3' HG12 ' D' ' 10' ' ' ILE . 18.0 ttmt -84.34 -40.66 17.64 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.956 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.892 HG12 ' HA ' ' B' ' 53' ' ' VAL . 11.2 p -70.84 -35.25 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.685 ' HA ' HD12 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -77.25 -26.66 52.77 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.88 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 17.6 mt-10 -79.79 -38.34 33.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.0 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.789 HG23 ' H ' ' D' ' 9' ' ' LYS . 42.3 m -57.66 -21.34 39.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.49 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.751 HD21 ' CD1' ' B' ' 76' ' ' PHE . 1.5 mt -92.14 -24.22 19.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.93 107.99 0.21 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -128.68 -45.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -156.24 41.1 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.758 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 7.68 54.52 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.76 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.41 27.26 16.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.812 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.83 23.73 11.49 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.741 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.413 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -141.63 177.51 8.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.352 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.434 ' HB2' ' HE2' ' B' ' 57' ' ' MET . 0.2 OUTLIER -111.93 88.68 2.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.031 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.681 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -78.92 -173.02 3.33 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.745 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.565 ' HA ' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -72.12 -23.06 61.26 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.163 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 1.2 pt20 -69.81 -30.39 67.9 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.705 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.449 ' HB3' ' HB3' ' B' ' 60' ' ' LEU . 2.1 mt-10 -70.58 -38.3 74.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -77.38 -20.44 54.72 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.252 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.716 ' SD ' HD13 ' B' ' 10' ' ' LEU . 12.8 mmm -68.69 -42.68 77.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.014 0.435 . . . . 0.0 109.977 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -72.83 -26.15 61.38 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.675 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.79 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 45.2 t80 -64.06 -69.91 0.25 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.534 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.484 ' O ' ' HB ' ' B' ' 81' ' ' THR . 1.4 p -48.33 -29.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.248 0.547 . . . . 0.0 110.363 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -84.66 -35.58 22.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.132 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.79 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 6.0 ptp -81.8 -44.5 16.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.051 0.453 . . . . 0.0 111.239 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.738 HG13 ' NE1' ' D' ' 7' ' ' TRP . 91.9 t -68.09 -40.83 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.28 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.683 ' HA ' ' HB2' ' B' ' 85' ' ' HIS . 6.4 t -63.71 -49.55 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.145 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.465 ' N ' HG23 ' B' ' 81' ' ' THR . 62.3 m -51.87 -39.3 58.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.036 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -65.98 -72.51 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.657 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' D' ' 2' ' ' ARG . 0.0 OUTLIER -88.71 -55.97 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.683 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 1.6 t-80 -43.64 -24.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 111.528 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.7 tm-20 -43.95 -63.22 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.696 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.84 -5.93 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.689 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.838 ' CZ ' HG23 ' D' ' 3' ' ' THR . 35.1 m-85 . . . . . 0 CA--C 1.528 0.125 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.878 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 2' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 6.1 mtp180 . . . . . 0 CA--C 1.524 -0.03 0 CA-C-O 120.841 0.353 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' THR . . . . . 0.834 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -98.72 1.72 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.098 179.323 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 1.001 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -80.8 -2.16 46.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.438 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 1.001 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 33.79 37.59 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.372 0.606 . . . . 0.0 111.236 -179.3 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.51 ' HA ' ' O ' ' C' ' 12' ' ' SER . 28.8 t0 -61.28 87.74 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.897 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.738 ' NE1' HG13 ' A' ' 80' ' ' VAL . 32.0 m0 -76.49 -44.19 36.43 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.598 ' O ' ' HA ' ' C' ' 12' ' ' SER . 1.9 m-80 170.21 -86.79 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.792 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.808 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -98.31 -49.97 4.5 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.68 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.42 -59.56 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.704 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.68 HD23 HG23 ' C' ' 10' ' ' ILE . 4.1 mm? -90.4 -11.82 39.36 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 9.2 p . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.537 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 1' ' ' THR . . . . . 0.549 HG23 ' HB3' ' D' ' 6' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.671 0.272 . . . . 0.0 111.45 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 2' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 6.1 mtp180 -50.42 -71.47 0.06 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.827 0.346 . . . . 0.0 110.604 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 3' ' ' THR . . . . . 0.838 HG23 ' CZ ' ' B' ' 88' ' ' PHE . 0.2 OUTLIER -98.65 1.76 46.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 179.341 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 1.016 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -80.85 -2.15 46.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.392 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 1.016 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 33.83 37.53 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.363 0.601 . . . . 0.0 111.219 -179.311 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.549 ' HB3' HG23 ' D' ' 1' ' ' THR . 28.7 t0 -61.18 87.65 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.998 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.738 ' NE1' HG13 ' B' ' 80' ' ' VAL . 31.7 m0 -76.36 -44.26 37.27 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.598 ' O ' ' HA ' ' D' ' 12' ' ' SER . 1.9 m-80 170.23 -86.95 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.714 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 9' ' ' LYS . . . . . 0.789 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -98.18 -49.96 4.53 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.703 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.43 -59.55 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.721 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.703 HD23 HG23 ' D' ' 10' ' ' ILE . 4.1 mm? -90.4 -11.73 39.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 9.3 p . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.529 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.931 0.396 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.578 ' OE2' HG22 ' B' ' 13' ' ' VAL . 5.4 pt-20 -55.41 -38.23 68.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.143 0.497 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.557 HD13 ' OE2' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -52.47 -44.69 65.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.965 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -61.34 -41.12 96.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 1.7 mtpp -73.16 -51.45 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -57.72 -49.15 77.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.445 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.6 ttm -50.27 -65.04 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.03 -20.27 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.844 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -59.1 -43.59 91.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.342 0.592 . . . . 0.0 109.641 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.522 HD12 ' HD2' ' A' ' 73' ' ' PHE . 1.2 pp -69.31 -39.25 78.38 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.488 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 7' ' ' MET . 4.1 mt -65.73 -35.99 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.601 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -42.12 54.97 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.843 HG21 ' OE1' ' A' ' 39' ' ' GLU . 25.6 t -58.56 -46.64 89.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.426 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.526 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.09 -34.66 68.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.368 179.418 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.466 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -72.1 -16.34 62.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.017 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -45.06 16.44 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.948 0.404 . . . . 0.0 110.085 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.698 ' CD1' HD11 ' A' ' 35' ' ' LEU . 2.7 m-85 -83.49 -46.97 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.12 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' HD11 ' A' ' 27' ' ' LEU . 20.2 m -57.31 117.1 3.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.412 ' N ' ' HA ' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.627 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HA ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.816 0.341 . . . . 0.0 110.987 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.72 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.5 t-80 -176.69 42.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.964 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.2 mtpt -164.89 152.08 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.834 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.964 HD13 ' O ' ' A' ' 26' ' ' LYS . 1.3 mm? -134.51 133.59 40.52 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 121.009 0.433 . . . . 0.0 111.34 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' HA ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -98.6 -169.91 1.86 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.421 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -55.27 -41.38 72.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.143 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -74.99 -42.39 57.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.722 ' O ' HD22 ' A' ' 35' ' ' LEU . 25.3 mt-10 -66.58 -67.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.188 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' HA ' HD23 ' A' ' 35' ' ' LEU . 6.0 tp -45.52 -59.74 2.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.071 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 1.003 ' HG2' HG11 ' A' ' 53' ' ' VAL . 38.7 mttt -41.28 -46.93 3.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.547 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.62 -55.51 31.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.595 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.722 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.3 mm? -49.44 -35.93 20.83 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.923 0.392 . . . . 0.0 111.537 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.685 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.2 mt -55.18 -64.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.823 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.7 -12.67 61.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.601 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.483 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 8.8 t30 -88.92 -23.67 22.65 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.592 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.843 ' OE1' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -148.11 43.88 1.05 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.282 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 36' ' ' ILE . 83.5 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.696 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.961 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 53' ' ' VAL . 1.9 mt-10 167.29 175.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.026 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.23 -31.71 62.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.863 0.363 . . . . 0.0 110.75 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -73.44 -40.55 64.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.941 ' O ' HG23 ' A' ' 56' ' ' VAL . 17.1 m -61.26 -42.33 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.567 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 1.003 HG11 ' HG2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -61.09 -50.07 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.926 -179.632 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -48.73 -35.31 13.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.092 0.472 . . . . 0.0 109.839 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.428 ' O ' ' OG1' ' A' ' 59' ' ' THR . 0.0 OUTLIER -81.31 -41.11 22.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.075 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 52' ' ' VAL . 91.3 t -55.6 -53.37 37.41 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.079 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.762 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.447 ' HE1' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -56.35 -39.58 73.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.322 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -38.46 91.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.856 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.712 ' CG2' HG22 ' C' ' 10' ' ' ILE . 0.2 OUTLIER -64.8 -31.85 73.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.145 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.789 HD21 ' CD1' ' A' ' 76' ' ' PHE . 78.3 mt -80.43 -50.12 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.114 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -49.15 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.044 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.55 -50.15 6.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.677 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 176.72 45.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.11 -58.11 0.93 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.601 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.37 30.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.61 -17.37 35.42 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.347 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.667 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 2.1 pt-20 -114.68 -175.12 2.62 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.2 m -111.22 115.25 29.04 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 9.1 p-10 -104.7 -167.65 1.38 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 5.7 t80 -62.05 -26.16 68.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.93 -38.31 90.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.964 0.411 . . . . 0.0 110.697 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 60' ' ' LEU . 3.0 mm-40 -76.8 -28.28 55.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.459 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.684 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -51.99 -58.35 6.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 179.26 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.454 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 72.0 mmm -60.2 -45.87 91.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.134 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' O ' ' HE2' ' A' ' 79' ' ' MET . . . -61.11 -21.12 63.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.031 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.789 ' CD1' HD21 ' A' ' 60' ' ' LEU . 44.3 t80 -85.44 -74.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.298 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.821 ' O ' HG23 ' A' ' 81' ' ' THR . 0.9 OUTLIER -50.24 -26.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.411 -179.687 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 74' ' ' MET . . . -83.83 -53.79 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.457 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 25.1 mtm -62.16 -46.07 90.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.421 0.629 . . . . 0.0 110.267 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.769 HG13 ' NE1' ' C' ' 7' ' ' TRP . 89.4 t -56.54 -52.45 53.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.674 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.821 HG23 ' O ' ' A' ' 77' ' ' VAL . 14.8 p -72.97 -49.52 28.67 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.783 0.325 . . . . 0.0 111.452 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 68.9 m -47.87 -25.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.691 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.474 ' HB2' ' CB ' ' C' ' 6' ' ' ASP . . . -83.29 -68.35 0.72 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 112.025 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -85.88 -49.95 7.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.621 -178.656 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.467 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 1.4 t60 -51.3 -19.38 1.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.128 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 82' ' ' THR . 18.3 tt0 -61.12 -64.75 0.85 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.569 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -121.91 -16.56 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 84' ' ' CYS . 8.7 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.553 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.846 0.355 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.601 ' OE2' HG22 ' A' ' 13' ' ' VAL . 5.4 pt-20 -55.31 -38.32 68.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.177 0.513 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.563 HD13 ' OE2' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -52.32 -44.83 65.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.984 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -61.24 -41.24 96.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.578 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 1.8 mtpp -73.16 -51.48 17.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.773 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -57.78 -49.11 77.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.479 ' O ' HG13 ' B' ' 11' ' ' ILE . 49.6 ttm -50.26 -65.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.968 0.413 . . . . 0.0 110.801 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.96 -20.41 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.753 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -59.01 -43.56 91.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.259 0.552 . . . . 0.0 109.669 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' B' ' 73' ' ' PHE . 1.2 pp -69.32 -39.32 78.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.459 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 7' ' ' MET . 4.1 mt -65.74 -35.99 76.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.599 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -42.01 55.03 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.847 HG21 ' OE1' ' B' ' 39' ' ' GLU . 25.7 t -58.66 -46.6 90.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.413 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.531 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -72.16 -34.7 68.69 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.369 179.489 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.462 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -72.03 -16.32 62.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.094 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -45.2 16.3 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.922 0.391 . . . . 0.0 110.022 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.694 ' CD1' HD11 ' B' ' 35' ' ' LEU . 2.7 m-85 -83.46 -47.02 11.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.411 ' OG ' HD11 ' B' ' 27' ' ' LEU . 20.3 m -57.3 117.11 3.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.407 ' N ' ' HA ' ' B' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.636 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.407 ' HA ' ' N ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.788 0.328 . . . . 0.0 111.008 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.727 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 3.5 t-80 -176.69 42.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.946 ' O ' HD13 ' B' ' 27' ' ' LEU . 1.2 mtpt -164.93 152.05 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.856 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.946 HD13 ' O ' ' B' ' 26' ' ' LYS . 1.3 mm? -134.52 133.54 40.44 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 120.973 0.416 . . . . 0.0 111.344 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -98.52 -169.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.444 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -55.32 -41.41 72.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.012 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -74.95 -42.47 57.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.734 ' O ' HD22 ' B' ' 35' ' ' LEU . 25.3 mt-10 -66.64 -67.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.15 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' B' ' 35' ' ' LEU . 6.0 tp -45.59 -59.58 2.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.133 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.96 ' HG2' HG11 ' B' ' 53' ' ' VAL . 38.7 mttt -41.37 -46.97 3.47 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.516 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.6 -55.47 31.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.589 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.734 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.3 mm? -49.44 -35.99 21.03 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 120.933 0.397 . . . . 0.0 111.465 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.664 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.2 mt -55.16 -64.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -68.66 -12.67 61.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.621 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.489 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 8.8 t30 -88.97 -23.65 22.6 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.594 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.847 ' OE1' HG21 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -148.07 43.83 1.06 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.288 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' B' ' 36' ' ' ILE . 83.1 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 0.0 110.692 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.561 ' HB2' HG21 ' B' ' 52' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.53 ' O ' HG23 ' B' ' 53' ' ' VAL . 1.9 mt-10 167.46 175.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.921 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.23 -31.66 62.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.834 0.349 . . . . 0.0 110.852 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -73.44 -40.65 64.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 56' ' ' VAL . 17.0 m -61.24 -42.24 92.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.628 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.96 HG11 ' HG2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -61.05 -50.06 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.027 -179.747 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -48.76 -35.25 13.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.144 0.497 . . . . 0.0 109.866 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.422 ' O ' ' OG1' ' B' ' 59' ' ' THR . 0.0 OUTLIER -81.41 -41.01 22.54 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.061 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.921 HG23 ' O ' ' B' ' 52' ' ' VAL . 91.2 t -55.7 -53.24 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.78 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.461 ' HE1' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -56.55 -39.5 73.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.33 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -38.44 91.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.934 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.698 ' CG2' HG22 ' D' ' 10' ' ' ILE . 0.2 OUTLIER -64.76 -31.8 73.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.195 179.166 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.788 HD21 ' CD1' ' B' ' 76' ' ' PHE . 78.4 mt -80.49 -50.06 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.085 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -49.19 95.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.025 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.66 -50.16 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 176.78 45.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.09 -58.21 0.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.531 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.38 30.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -17.28 35.64 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.301 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.666 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 2.1 pt-20 -114.74 -175.24 2.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.489 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 3.2 m -111.13 115.3 29.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.573 ' HB3' ' HA ' ' B' ' 26' ' ' LYS . 9.1 p-10 -104.73 -167.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' B' ' 25' ' ' HIS . 5.7 t80 -62.05 -26.2 68.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.92 -38.32 90.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.709 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.465 ' HB3' ' HB3' ' B' ' 60' ' ' LEU . 3.1 mm-40 -76.85 -28.23 55.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.472 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.68 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -51.98 -58.35 6.77 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.306 179.229 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.46 ' SD ' HD21 ' B' ' 10' ' ' LEU . 71.9 mmm -60.17 -45.94 91.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.075 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.13 -21.08 63.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.049 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.788 ' CD1' HD21 ' B' ' 60' ' ' LEU . 44.2 t80 -85.38 -74.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.318 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.812 ' O ' HG23 ' B' ' 81' ' ' THR . 0.9 OUTLIER -50.2 -26.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.413 -179.704 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 74' ' ' MET . . . -83.85 -53.77 5.36 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.2 mtm -62.06 -46.12 90.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.41 0.624 . . . . 0.0 110.284 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.786 HG13 ' NE1' ' D' ' 7' ' ' TRP . 89.2 t -56.57 -52.44 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.645 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.812 HG23 ' O ' ' B' ' 77' ' ' VAL . 15.0 p -73.01 -49.47 28.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 111.445 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 69.2 m -47.79 -25.96 1.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.697 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' D' ' 6' ' ' ASP . . . -83.29 -68.35 0.72 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -85.78 -50.0 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.654 -178.761 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.468 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 1.4 t60 -51.32 -19.35 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.06 0.457 . . . . 0.0 110.1 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' B' ' 82' ' ' THR . 18.3 tt0 -61.15 -64.78 0.84 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.522 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -121.97 -16.41 7.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.007 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' B' ' 84' ' ' CYS . 8.7 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 . . . . . 0 N--CA 1.456 -0.154 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 7.2 t -101.31 1.82 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.807 ' O ' HG23 ' C' ' 5' ' ' ILE . 8.9 tttt -83.72 -65.48 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.262 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 0.807 HG23 ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 141.77 -11.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.867 1.267 . . . . 0.0 110.345 179.262 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 83' ' ' ALA . 40.0 t0 64.32 -4.41 0.41 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.769 ' NE1' HG13 ' A' ' 80' ' ' VAL . 11.6 m95 -48.85 -69.37 0.12 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.646 0.657 . . . . 0.0 109.9 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.691 ' HB3' HG23 ' A' ' 59' ' ' THR . 43.8 t-20 146.4 -97.86 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.489 0.715 . . . . 0.0 111.936 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.2 -36.33 10.48 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.726 HG21 ' HE3' ' C' ' 7' ' ' TRP . 1.7 tp -52.82 -60.79 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.5 0.191 . . . . 0.0 111.242 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.668 HD23 HG13 ' C' ' 10' ' ' ILE . 16.7 mt -93.13 -25.22 17.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.215 0.531 . . . . 0.0 109.902 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.64 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.281 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 1' ' ' THR . . . . . 0.84 HG22 ' HB2' ' D' ' 6' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.549 0.214 . . . . 0.0 111.403 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -100.27 -73.4 0.64 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.698 -0.401 . . . . 0.0 112.024 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 7.3 t -101.22 1.74 39.25 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 0.816 ' O ' HG23 ' D' ' 5' ' ' ILE . 8.8 tttt -83.74 -65.53 1.0 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.268 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 0.816 HG23 ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 141.79 -11.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.9 1.28 . . . . 0.0 110.332 179.174 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.84 ' HB2' HG22 ' D' ' 1' ' ' THR . 40.2 t0 64.17 -4.36 0.4 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.786 ' NE1' HG13 ' B' ' 80' ' ' VAL . 11.6 m95 -48.89 -69.38 0.12 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.697 0.68 . . . . 0.0 109.939 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.692 ' HB3' HG23 ' B' ' 59' ' ' THR . 44.0 t-20 146.47 -97.71 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.548 0.739 . . . . 0.0 111.94 177.522 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -36.27 10.45 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.724 HG21 ' HE3' ' D' ' 7' ' ' TRP . 1.7 tp -52.78 -60.84 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.514 0.197 . . . . 0.0 111.233 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.687 HD23 HG13 ' D' ' 10' ' ' ILE . 16.8 mt -93.08 -25.38 17.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.157 0.504 . . . . 0.0 109.813 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.653 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.297 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.752 0.31 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -58.65 -23.71 59.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.14 -62.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.87 -41.03 97.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.13 -61.59 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -56.82 -36.01 69.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.397 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.556 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.0 ttt -58.93 -55.36 36.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.758 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.655 ' HA ' HG13 ' A' ' 11' ' ' ILE . 21.8 t -73.32 -28.55 25.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.884 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.59 -42.78 71.51 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.445 0.64 . . . . 0.0 109.801 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.94 -59.72 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.116 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -47.9 -37.11 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.69 179.125 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.77 -42.83 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.281 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.823 HG12 ' HG ' ' A' ' 35' ' ' LEU . 6.7 t -63.65 -47.02 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.863 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -76.61 -24.57 53.41 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.703 0.287 . . . . 0.0 111.086 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.423 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 18.5 t-80 -81.38 -18.02 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.94 -43.89 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.211 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.75 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.0 m-85 -83.55 -58.42 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.66 ' HB2' HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -58.3 114.26 2.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.935 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.919 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.039 0.447 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.411 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 8.8 t-160 -171.37 -34.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.687 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.735 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.33 163.44 13.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.343 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 26' ' ' LYS . 2.3 mm? -131.96 139.72 48.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.133 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.82 -177.49 3.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.004 0.431 . . . . 0.0 111.556 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.61 -26.4 13.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.019 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -83.12 -43.87 15.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.674 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.606 ' O ' HD22 ' A' ' 35' ' ' LEU . 1.5 mp0 -81.43 -64.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.439 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -44.05 -56.89 3.69 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.783 0.325 . . . . 0.0 111.424 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.569 ' HD3' HG11 ' A' ' 53' ' ' VAL . 73.9 mttt -59.32 -45.81 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.819 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -43.03 -45.92 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.285 -179.67 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.823 ' HG ' HG12 ' A' ' 13' ' ' VAL . 2.2 mm? -66.33 -38.57 87.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.235 0.54 . . . . 0.0 110.262 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.992 HG23 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -54.69 -56.7 9.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.943 178.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASN . . . . . 0.519 ' N ' HG22 ' A' ' 36' ' ' ILE . 1.5 p30 -69.94 -22.57 63.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.701 177.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.521 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 64.7 t-20 -67.54 -45.59 75.27 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.802 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.71 61.89 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.992 HD13 HG23 ' A' ' 36' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.219 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.579 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 120.745 0.307 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.778 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -160.55 -174.64 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -76.73 -44.3 33.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.041 0.448 . . . . 0.0 110.508 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.44 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.266 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.0 m -61.1 -44.42 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.967 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.798 ' HA ' HG12 ' A' ' 56' ' ' VAL . 3.8 t -48.52 -54.59 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-O 120.93 0.395 . . . . 0.0 111.246 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -54.8 -32.51 60.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.057 0.456 . . . . 0.0 109.972 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -77.28 -42.88 35.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.362 179.302 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.914 ' HB ' HD12 ' C' ' 10' ' ' ILE . 4.2 p -65.67 -49.25 78.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.43 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -60.66 -24.51 65.63 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.27 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 11.7 mt-10 -87.25 -35.24 18.61 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.601 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.997 HG21 HG22 ' C' ' 10' ' ' ILE . 85.5 m -63.59 -28.66 70.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.748 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD13 ' HD2' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -86.88 -27.77 23.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.848 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.22 96.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -123.94 -43.68 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.738 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -139.73 40.22 2.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.728 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.84 6.68 25.78 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.827 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 58.49 23.69 11.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.778 0.323 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.38 7.54 26.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.829 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 3.0 mt-10 -136.24 -177.37 4.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.497 ' HA ' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -112.07 99.25 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.072 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.735 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -95.31 -174.65 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 16.5 t80 -59.12 -19.87 48.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.214 0.531 . . . . 0.0 110.469 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -66.52 -40.04 88.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.372 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 16.4 mm-40 -73.41 -29.43 62.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.151 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.632 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -52.65 -50.22 63.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.829 178.53 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.563 ' SD ' HG21 ' B' ' 81' ' ' THR . 17.6 mmt -59.74 -57.19 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.424 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.37 68.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.456 ' HD2' HD13 ' A' ' 60' ' ' LEU . 3.6 t80 -60.34 -74.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 73' ' ' PHE . 2.4 m -58.56 -28.58 36.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.332 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' B' ' 74' ' ' MET . . . -76.24 -47.77 22.69 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.6 mtm -70.35 -59.03 3.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.175 0.512 . . . . 0.0 110.754 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.623 HG22 ' CE2' ' C' ' 7' ' ' TRP . 96.1 t -51.46 -35.2 16.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.286 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.828 HG23 ' HB3' ' A' ' 85' ' ' HIS . 2.0 m -71.22 -60.23 2.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.346 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.59 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 34.0 m -43.16 -26.52 0.17 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.539 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.77 ' HB1' HG22 ' C' ' 5' ' ' ILE . . . -83.57 -70.89 0.53 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.591 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -88.86 -56.05 3.45 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.669 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.828 ' HB3' HG23 ' A' ' 81' ' ' THR . 1.7 t-160 -53.18 -19.77 3.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.327 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.4 tm-20 -52.96 -64.28 0.87 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.084 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -118.87 -27.63 5.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.554 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 8.1 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.792 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.84 0.352 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.68 -23.7 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.09 -62.59 1.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.87 -40.93 97.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.13 -61.65 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -56.83 -35.89 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.399 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.564 ' O ' HG13 ' B' ' 11' ' ' ILE . 2.0 ttt -59.11 -55.28 37.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.79 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.637 ' HA ' HG13 ' B' ' 11' ' ' ILE . 21.8 t -73.36 -28.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.904 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.61 -42.84 71.62 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.457 0.646 . . . . 0.0 109.803 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.89 -59.63 3.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.144 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.637 HG13 ' HA ' ' B' ' 8' ' ' VAL . 0.4 OUTLIER -48.11 -36.99 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.667 179.244 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -42.83 72.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.285 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.843 HG12 ' HG ' ' B' ' 35' ' ' LEU . 6.8 t -63.7 -46.91 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.83 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.594 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -76.71 -24.51 53.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 111.151 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.422 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 18.5 t-80 -81.33 -18.18 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.068 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.84 -43.97 14.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.858 0.361 . . . . 0.0 110.205 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.771 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.0 m-85 -83.42 -58.55 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.174 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.646 ' HB2' HD11 ' B' ' 27' ' ' LEU . 0.5 OUTLIER -58.29 114.3 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.901 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.051 0.453 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.41 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 8.8 t-160 -171.47 -34.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.734 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.744 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.39 163.37 14.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.373 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.692 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.3 mm? -131.91 139.74 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.142 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.86 -177.43 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.911 0.386 . . . . 0.0 111.599 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.72 -26.4 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -83.11 -43.83 15.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.607 ' O ' HD22 ' B' ' 35' ' ' LEU . 1.5 mp0 -81.52 -64.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.408 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.579 HD13 ' C ' ' B' ' 32' ' ' LEU . 3.4 tm? -44.04 -56.86 3.7 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.722 0.296 . . . . 0.0 111.451 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.569 ' HD3' HG11 ' B' ' 53' ' ' VAL . 74.0 mttt -59.32 -45.73 90.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.883 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 0.5 OUTLIER -43.09 -45.97 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.235 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.843 ' HG ' HG12 ' B' ' 13' ' ' VAL . 2.2 mm? -66.22 -38.6 88.31 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.262 0.553 . . . . 0.0 110.298 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 1.0 HG23 HD13 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -54.66 -56.69 9.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.311 -0.858 . . . . 0.0 108.98 178.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ASN . . . . . 0.515 ' N ' HG22 ' B' ' 36' ' ' ILE . 1.5 p30 -69.93 -22.67 63.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.695 177.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.536 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 64.7 t-20 -67.37 -45.72 75.44 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.807 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.68 61.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 1.0 HD13 HG23 ' B' ' 36' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.241 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.532 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.762 0.315 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.768 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.2 OUTLIER -160.51 -174.61 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.532 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -76.66 -44.4 34.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 0.0 110.513 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -42.49 98.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.346 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.0 m -61.11 -44.39 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.994 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.814 ' HA ' HG12 ' B' ' 56' ' ' VAL . 3.8 t -48.48 -54.62 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 1.0 OUTLIER -54.81 -32.54 60.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.077 0.465 . . . . 0.0 109.948 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -77.29 -42.81 35.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.409 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.939 ' HB ' HD12 ' D' ' 10' ' ' ILE . 4.2 p -65.65 -49.27 78.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.443 ' HA ' HD12 ' B' ' 60' ' ' LEU . 0.5 OUTLIER -60.59 -24.56 65.55 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.187 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 11.6 mt-10 -87.28 -35.14 18.63 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.594 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 59' ' ' THR . . . . . 1.038 HG21 HG22 ' D' ' 10' ' ' ILE . 85.9 m -63.69 -28.59 70.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.799 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.462 HD13 ' HD2' ' B' ' 76' ' ' PHE . 1.0 OUTLIER -86.96 -27.67 23.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.875 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.2 96.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -123.97 -43.64 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.732 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -139.65 40.16 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.74 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.95 6.87 25.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.693 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 58.47 23.56 10.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.4 7.59 26.1 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.83 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 26' ' ' LYS . 3.0 mt-10 -136.21 -177.43 4.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.474 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 0.1 OUTLIER -111.94 99.27 7.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.744 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.8 OUTLIER -95.28 -174.68 3.28 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 178.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 16.4 t80 -59.08 -19.88 48.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.142 0.496 . . . . 0.0 110.436 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -66.43 -40.19 89.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.365 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.474 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 16.4 mm-40 -73.4 -29.41 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.1 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.633 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -52.65 -50.28 63.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.777 178.592 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.565 ' SD ' HG21 ' A' ' 81' ' ' THR . 17.6 mmt -59.72 -57.1 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.392 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.4 68.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.462 ' HD2' HD13 ' B' ' 60' ' ' LEU . 3.7 t80 -60.22 -74.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.639 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.633 HG22 ' O ' ' B' ' 73' ' ' PHE . 2.4 m -58.52 -28.6 36.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.34 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -76.33 -47.57 23.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 31.5 mtm -70.43 -58.98 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.2 0.524 . . . . 0.0 110.776 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' D' ' 7' ' ' TRP . 95.3 t -51.51 -35.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.267 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.836 HG23 ' HB3' ' B' ' 85' ' ' HIS . 1.9 m -71.35 -60.19 2.36 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.588 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 34.5 m -43.11 -26.51 0.16 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.584 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.796 ' HB1' HG22 ' D' ' 5' ' ' ILE . . . -83.61 -70.85 0.53 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.595 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' B' ' 88' ' ' PHE . 0.5 OUTLIER -88.88 -56.13 3.41 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.696 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.836 ' HB3' HG23 ' B' ' 81' ' ' THR . 1.7 t-160 -53.21 -19.72 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.12 0.486 . . . . 0.0 110.314 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.4 tm-20 -53.01 -64.25 0.88 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.126 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -118.86 -27.61 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.576 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' B' ' 84' ' ' CYS . 8.1 m-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.735 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.747 0.308 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 23.5 p -102.87 -10.83 18.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 1.096 ' O ' HG23 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -101.45 -63.81 1.11 Allowed 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -177.881 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 1.096 HG23 ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 114.1 34.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.598 1.559 . . . . 0.0 110.489 -179.077 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.431 ' N ' ' HD3' ' C' ' 4' ' ' LYS . 4.5 p-10 -69.25 70.6 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.026 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.743 ' CE3' HG21 ' C' ' 10' ' ' ILE . 20.3 m0 -52.19 -53.64 40.7 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.052 0.453 . . . . 0.0 109.837 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.843 ' HB3' HG23 ' A' ' 59' ' ' THR . 0.3 OUTLIER -178.4 -92.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.678 179.019 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.443 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -97.85 -39.37 9.04 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.997 HG22 HG21 ' A' ' 59' ' ' THR . 2.0 tt -56.13 -60.85 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.747 ' HG ' HG12 ' C' ' 5' ' ' ILE . 4.5 mm? -92.95 -15.94 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.632 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 11.6 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.313 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 1' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' B' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.642 0.258 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -101.05 -74.89 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.382 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 23.6 p -102.81 -10.83 18.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 1.107 ' O ' HG23 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -101.47 -63.79 1.11 Allowed 'General case' 0 C--O 1.225 -0.197 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -177.832 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 1.107 HG23 ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 114.12 34.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.579 1.552 . . . . 0.0 110.442 -179.109 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.426 ' N ' ' HD3' ' D' ' 4' ' ' LYS . 4.4 p-10 -69.33 70.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.045 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.736 ' CE3' HG21 ' D' ' 10' ' ' ILE . 20.4 m0 -52.19 -53.62 41.05 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.064 0.459 . . . . 0.0 109.834 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.823 ' HB3' HG23 ' B' ' 59' ' ' THR . 0.3 OUTLIER -178.4 -92.08 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.635 179.006 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 9' ' ' LYS . . . . . 0.444 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -97.89 -39.43 9.0 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.81 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 1.038 HG22 HG21 ' B' ' 59' ' ' THR . 2.0 tt -56.05 -60.88 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.74 ' HG ' HG12 ' D' ' 5' ' ' ILE . 4.5 mm? -93.01 -15.82 25.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 11.4 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.419 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.735 0.302 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.741 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 6.6 mt-10 -59.49 -23.67 62.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.709 HD13 HD11 ' B' ' 40' ' ' LEU . 0.5 OUTLIER -71.91 -25.27 61.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -79.56 -47.56 15.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -71.57 -46.8 58.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.081 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.557 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -60.67 -35.75 77.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.934 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.454 ' HE1' HG21 ' B' ' 81' ' ' THR . 0.0 OUTLIER -61.28 -63.4 1.3 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.504 179.632 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.36 -23.62 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.393 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.767 ' HB1' ' HG2' ' B' ' 2' ' ' GLU . . . -58.7 -40.85 84.82 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.426 0.631 . . . . 0.0 109.619 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.562 HD12 ' CE ' ' A' ' 74' ' ' MET . 3.3 mt -67.78 -44.91 76.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.826 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.466 HG12 ' CE1' ' A' ' 70' ' ' PHE . 5.1 mt -58.09 -42.87 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.917 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.07 -42.82 69.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.505 HG12 ' HG ' ' A' ' 35' ' ' LEU . 15.4 t -57.64 -56.57 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.416 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -69.91 -27.91 65.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.442 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 26.1 t60 -75.14 -18.82 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -47.14 11.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.3 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.787 ' CD1' HD21 ' A' ' 35' ' ' LEU . 3.6 m-85 -83.58 -62.18 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.71 122.3 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 13.7 tmtt? . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.67 0.271 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' A' ' 69' ' ' ASP . 0.8 OUTLIER 84.73 -35.51 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.707 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.821 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.14 158.79 17.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.696 0.284 . . . . 0.0 110.263 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.809 HD23 ' HB3' ' A' ' 31' ' ' GLU . 4.5 mp -135.42 137.84 42.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 111.053 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' HG2' ' A' ' 67' ' ' GLU . 9.6 pttm -92.03 174.9 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.44 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 1.1 mptt -49.19 -29.17 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.097 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 1.1 p -84.07 -28.16 27.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.767 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.809 ' HB3' HD23 ' A' ' 27' ' ' LEU . 1.2 mt-10 -80.12 -69.46 0.59 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -54.02 -45.92 71.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.35 . . . . 0.0 111.307 -179.213 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.797 ' HG3' HG11 ' A' ' 53' ' ' VAL . 12.8 ttmt -62.69 -40.43 97.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -49.02 -46.2 43.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.75 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.787 HD21 ' CD1' ' A' ' 17' ' ' TYR . 3.4 mm? -67.44 -42.11 83.65 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.236 0.541 . . . . 0.0 110.972 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.952 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.9 mt -58.37 -36.38 58.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.806 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.65 -17.47 25.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.641 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' GLU . 57.7 t30 -92.66 -20.19 21.09 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.284 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' LEU . 81.5 mm-40 -134.93 -32.13 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.952 HD12 ' HA ' ' A' ' 36' ' ' ILE . 2.0 mt . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.893 0.378 . . . . 0.0 111.07 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.854 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.558 0.218 . . . . 0.0 111.058 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.829 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -79.19 146.63 33.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 110.926 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -51.99 -38.21 55.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.114 0.483 . . . . 0.0 110.811 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.49 -42.57 96.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.411 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.854 HG21 ' HG2' ' A' ' 48' ' ' LYS . 9.5 m -70.6 -37.69 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.374 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.797 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.4 t -57.8 -28.99 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 110.985 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -72.75 -50.54 23.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.632 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' THR . 10.3 ttmt -64.32 -45.43 87.93 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.365 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.774 ' CG1' ' HA ' ' A' ' 53' ' ' VAL . 10.4 p -63.15 -51.96 64.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.53 ' HE2' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -61.47 -25.62 67.36 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.151 0.501 . . . . 0.0 109.675 178.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 22.6 mt-10 -86.6 -26.25 24.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.437 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.567 HG23 ' H ' ' C' ' 9' ' ' LYS . 54.2 m -75.71 -24.32 56.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.951 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.629 HD13 ' CE2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -95.93 -16.96 21.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.294 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -46.77 101.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.762 0.315 . . . . 0.0 111.258 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -107.89 -54.2 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -141.07 37.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.21 7.28 26.93 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.69 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 58.62 31.92 21.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.45 28.44 10.52 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.5 mt-10 -137.65 172.43 12.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.876 0.37 . . . . 0.0 110.485 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 32' ' ' LEU . 1.7 t -111.63 86.81 2.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.0 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.821 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -76.15 -173.95 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . 29.7 t80 -66.97 -33.09 74.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.458 ' HA ' HG22 ' B' ' 82' ' ' THR . 8.0 pt20 -76.23 -23.48 54.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.375 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -84.33 -37.28 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -82.84 -22.95 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.477 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.61 ' HB2' HG22 ' B' ' 82' ' ' THR . 0.0 OUTLIER -72.13 -47.88 47.78 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.789 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -67.87 -23.68 65.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.738 ' CE1' HG21 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -63.95 -72.12 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.758 179.422 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 p -44.93 -32.27 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-O 121.224 0.535 . . . . 0.0 110.76 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.31 -40.04 17.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.403 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.542 ' CE ' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -72.14 -44.09 63.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.738 HG21 ' CE1' ' A' ' 76' ' ' PHE . 59.4 t -68.57 -38.27 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.411 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.424 HG21 ' HE1' ' B' ' 7' ' ' MET . 8.5 m -70.36 -59.79 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.034 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 78' ' ' ALA . 68.8 p -50.11 -24.95 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.003 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -75.81 -72.68 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 5.1 p -87.99 -54.08 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -24.61 0.21 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 110.796 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.2 tm-20 -50.64 -63.69 1.04 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.38 -21.23 10.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 9.3 m-85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.222 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.808 0.337 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.767 ' HG2' ' HB1' ' A' ' 9' ' ' ALA . 6.5 mt-10 -59.57 -23.67 63.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.021 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.674 HD13 HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -71.9 -25.2 61.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.024 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -79.64 -47.57 15.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -71.48 -46.83 58.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.067 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.557 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -60.66 -35.85 77.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.44 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -61.26 -63.43 1.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.466 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 8' ' ' VAL . . . . . 0.4 ' HA ' HD12 ' B' ' 11' ' ' ILE . 25.5 t -68.34 -23.67 28.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.311 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.741 ' HB1' ' HG2' ' A' ' 2' ' ' GLU . . . -58.73 -40.75 84.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.361 0.601 . . . . 0.0 109.551 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.571 HD12 ' CE ' ' B' ' 74' ' ' MET . 3.3 mt -67.91 -44.77 76.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.816 178.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.463 HG12 ' CE1' ' B' ' 70' ' ' PHE . 5.2 mt -58.23 -42.79 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.891 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -54.09 -42.97 69.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.519 HG12 ' HG ' ' B' ' 35' ' ' LEU . 15.1 t -57.42 -56.63 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.532 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.607 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -69.88 -27.89 65.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.79 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.44 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 26.4 t60 -75.22 -18.78 60.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.2 -47.06 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.327 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.787 ' CD1' HD21 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.51 -62.42 1.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.48 122.28 10.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 13.7 tmtt? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.695 0.283 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' B' ' 69' ' ' ASP . 0.8 OUTLIER 84.82 -35.59 0.05 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.678 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.824 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.08 158.84 17.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.646 0.26 . . . . 0.0 110.301 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.83 HD23 ' HB3' ' B' ' 31' ' ' GLU . 4.5 mp -135.49 137.79 42.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.965 0.412 . . . . 0.0 111.12 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.409 ' HA ' ' HG2' ' B' ' 67' ' ' GLU . 9.6 pttm -91.99 174.88 7.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.401 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' B' ' 33' ' ' LYS . 1.1 mptt -49.06 -29.22 4.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.196 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 1.1 p -84.1 -28.1 27.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.794 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.83 ' HB3' HD23 ' B' ' 27' ' ' LEU . 1.2 mt-10 -80.19 -69.36 0.6 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.55 ' C ' HD12 ' B' ' 32' ' ' LEU . 0.9 OUTLIER -54.1 -45.91 71.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.368 . . . . 0.0 111.297 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.808 ' HG3' HG11 ' B' ' 53' ' ' VAL . 12.8 ttmt -62.78 -40.38 97.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.016 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -48.86 -46.34 42.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.696 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.787 HD21 ' CD1' ' B' ' 17' ' ' TYR . 3.4 mm? -67.28 -42.31 84.01 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.38 0.609 . . . . 0.0 110.913 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.973 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.9 mt -58.36 -36.4 58.26 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.798 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.48 -17.49 25.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.737 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' B' ' 34' ' ' GLU . 57.8 t30 -92.68 -20.19 21.07 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.275 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' B' ' 35' ' ' LEU . 81.4 mm-40 -134.95 -32.23 0.98 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.973 HD12 ' HA ' ' B' ' 36' ' ' ILE . 2.0 mt . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.835 0.35 . . . . 0.0 111.126 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.881 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.513 0.197 . . . . 0.0 111.096 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.805 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -79.24 146.69 32.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.8 0.333 . . . . 0.0 110.842 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -52.06 -38.11 56.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.764 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.66 -42.46 97.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.363 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.881 HG21 ' HG2' ' B' ' 48' ' ' LYS . 9.8 m -70.66 -37.77 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.285 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.808 HG11 ' HG3' ' B' ' 33' ' ' LYS . 2.4 t -57.63 -29.13 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.761 0.315 . . . . 0.0 111.036 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 54' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -72.58 -50.59 24.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.613 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 59' ' ' THR . 10.3 ttmt -64.32 -45.48 87.71 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.322 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.795 ' CG1' ' HA ' ' B' ' 53' ' ' VAL . 10.6 p -63.09 -52.07 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.528 ' N ' HG13 ' B' ' 56' ' ' VAL . 0.5 OUTLIER -61.41 -25.58 67.29 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.137 0.494 . . . . 0.0 109.707 178.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 22.6 mt-10 -86.65 -26.25 24.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.365 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.579 HG23 ' H ' ' D' ' 9' ' ' LYS . 54.0 m -75.64 -24.47 56.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.624 HD13 ' CE2' ' B' ' 76' ' ' PHE . 0.9 OUTLIER -95.9 -16.86 21.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.419 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -46.81 101.12 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.217 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -107.95 -54.01 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -141.19 37.74 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.27 7.3 26.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.696 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t70 58.6 31.82 21.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.54 28.38 10.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 27' ' ' LEU . 2.5 mt-10 -137.63 172.41 13.0 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.893 0.378 . . . . 0.0 110.477 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.465 ' HB2' ' CD2' ' B' ' 32' ' ' LEU . 1.7 t -111.63 86.85 2.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.824 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -76.17 -174.06 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.448 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.607 ' HB2' ' CD2' ' B' ' 14' ' ' PHE . 29.4 t80 -66.89 -33.06 74.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.937 0.399 . . . . 0.0 110.807 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.463 ' HA ' HG22 ' A' ' 82' ' ' THR . 8.0 pt20 -76.3 -23.37 54.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.396 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -84.46 -37.18 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 111.094 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -82.88 -22.81 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.531 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.597 ' HB2' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -72.19 -47.98 46.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.835 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -67.77 -23.91 65.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.737 ' CE1' HG21 ' B' ' 80' ' ' VAL . 1.0 OUTLIER -63.84 -72.04 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.835 179.398 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.5 p -45.03 -32.23 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 121.319 0.58 . . . . 0.0 110.767 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.635 ' O ' HG23 ' B' ' 82' ' ' THR . . . -85.36 -39.88 17.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.386 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.545 ' CE ' HD11 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -72.25 -44.16 63.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 111.002 -179.153 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.737 HG21 ' CE1' ' B' ' 76' ' ' PHE . 60.3 t -68.47 -38.31 79.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.432 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.454 HG21 ' HE1' ' A' ' 7' ' ' MET . 8.5 m -70.28 -59.79 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.022 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.635 HG23 ' O ' ' B' ' 78' ' ' ALA . 69.1 p -50.2 -24.85 3.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.089 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -75.84 -72.72 0.3 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 5.2 p -87.88 -54.13 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.401 ' HB3' HG23 ' B' ' 81' ' ' THR . 0.9 OUTLIER -44.8 -24.5 0.21 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.046 0.45 . . . . 0.0 110.865 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 86' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.2 tm-20 -50.75 -63.5 1.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.187 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.43 -21.25 10.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 9.3 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.236 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.74 0.305 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -98.98 -2.24 37.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.777 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.793 ' O ' HD12 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -82.23 -2.12 51.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.512 0.196 . . . . 0.0 110.722 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 0.794 HD13 ' CD1' ' C' ' 7' ' ' TRP . 2.0 pp 54.59 -7.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' C' ' 4' ' ' LYS . 10.0 t70 69.22 -25.82 0.15 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.904 ' HE3' HG21 ' C' ' 10' ' ' ILE . 14.3 m95 -38.25 -51.88 1.48 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.724 0.693 . . . . 0.0 110.462 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' C' ' 7' ' ' TRP . 21.1 t-20 117.03 -91.52 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.431 0.693 . . . . 0.0 112.851 178.199 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.567 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -95.67 -36.44 11.21 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.346 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.966 HG23 HD22 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.29 -60.17 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.775 -178.329 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.966 HD22 HG23 ' C' ' 10' ' ' ILE . 1.6 mm? -86.88 -12.59 47.34 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.061 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.723 0.297 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -57.51 -71.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.983 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 74.9 p -98.89 -2.38 37.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.729 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 0.793 ' O ' HD12 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -82.07 -2.18 51.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.489 0.185 . . . . 0.0 110.739 179.455 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 0.793 HD12 ' O ' ' D' ' 4' ' ' LYS . 2.0 pp 54.6 -7.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.519 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 9.9 t70 69.29 -25.91 0.15 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.879 ' HE3' HG21 ' D' ' 10' ' ' ILE . 14.4 m95 -38.21 -51.91 1.46 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.737 0.699 . . . . 0.0 110.472 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.624 ' CB ' ' O ' ' D' ' 7' ' ' TRP . 21.1 t-20 116.95 -91.36 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.489 0.716 . . . . 0.0 112.927 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 9' ' ' LYS . . . . . 0.579 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -95.8 -36.37 11.17 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -177.291 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.972 HG23 HD22 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.27 -60.27 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.794 -178.364 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.972 HD22 HG23 ' D' ' 10' ' ' ILE . 1.6 mm? -86.76 -12.63 47.56 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 176.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.051 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.87 0.367 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' GLU . . . . . 0.67 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -66.02 -36.54 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.336 0.589 . . . . 0.0 110.792 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.45 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -58.68 -22.73 57.83 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.788 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -47.12 12.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -74.2 -37.76 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.061 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.546 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -64.8 -45.61 85.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.943 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.456 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -57.03 -55.04 39.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.098 0.475 . . . . 0.0 110.051 179.41 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 t -72.84 -20.72 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.371 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.668 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -59.43 -43.35 93.1 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 3.5 mt -65.41 -46.34 80.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.386 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 7' ' ' MET . 8.1 mt -59.02 -37.13 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.787 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -56.35 -39.89 73.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.643 HG12 ' HG ' ' A' ' 35' ' ' LEU . 9.4 t -62.48 -65.27 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.392 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -61.14 -25.84 67.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.812 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' HIS . . . . . 0.463 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 41.9 t60 -77.03 -19.45 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -45.59 12.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.977 0.418 . . . . 0.0 110.309 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.743 ' CG ' HD21 ' A' ' 35' ' ' LEU . 3.3 m-85 -83.2 -61.12 1.94 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.98 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -63.02 122.02 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.606 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.673 0.273 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.424 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 5.0 t-160 -134.87 -32.72 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.444 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.94 160.63 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 68' ' ' CYS . 5.6 mp -135.18 139.09 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.044 0.45 . . . . 0.0 111.005 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -91.79 179.47 5.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' N ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -55.54 -23.19 25.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.135 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -44.18 15.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.245 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' HB3' HD23 ' A' ' 27' ' ' LEU . 2.3 mm-40 -72.93 -68.14 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.537 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 33' ' ' LYS . 1.4 tm? -49.8 -64.78 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.57 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.827 ' HG3' HG11 ' A' ' 53' ' ' VAL . 26.7 ttmt -46.83 -43.94 18.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.548 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -47.28 -47.77 25.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.58 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.743 HD21 ' CG ' ' A' ' 17' ' ' TYR . 3.4 mm? -62.85 -50.26 71.65 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 121.351 0.596 . . . . 0.0 110.736 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.848 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.1 mt -47.42 -46.04 10.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.636 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -27.88 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.996 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 31.7 t30 -71.87 -30.47 65.45 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.641 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' LEU . 5.4 mt-10 -109.08 -55.38 2.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.74 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.888 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.71 ' O ' HG22 ' A' ' 52' ' ' VAL . 17.5 mm-40 -73.31 155.45 39.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -61.81 -33.16 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.69 -44.5 85.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.524 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.937 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.8 m -66.38 -35.36 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.536 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.827 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.4 t -55.73 -56.13 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-O 120.588 0.232 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.34 -39.51 57.16 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' THR . 10.3 ttmt -67.55 -42.15 83.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.539 178.235 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 52' ' ' VAL . 35.4 t -56.78 -62.2 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.428 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.5 ' HE1' ' N ' ' A' ' 29' ' ' LYS . 29.4 mtp -57.06 -24.11 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.29 -27.21 23.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.323 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.637 HG22 ' HB2' ' C' ' 8' ' ' ASN . 37.9 m -76.11 -28.63 57.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.027 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.948 HD11 ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -80.88 -51.11 8.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 0.0 110.697 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 t70 37.71 75.83 0.06 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.919 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' HB2' ' HB2' ' A' ' 72' ' ' GLU . 1.7 m120 -76.01 -61.26 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -174.76 35.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.95 7.74 14.86 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.633 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.45 26.47 15.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.72 18.52 5.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.957 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -117.28 155.78 28.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.948 0.404 . . . . 0.0 110.584 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.622 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.02 86.57 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.115 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.701 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -76.33 -172.24 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.107 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.639 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.8 t80 -74.5 -20.08 60.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.084 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.853 ' HB2' HG23 ' B' ' 82' ' ' THR . 17.6 pt20 -83.34 -29.04 28.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.471 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -86.08 -41.28 14.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.493 -179.242 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -72.79 -45.75 56.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.0 110.531 179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -62.96 -38.37 90.83 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -73.59 -24.32 60.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.774 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.948 ' CD1' HD11 ' A' ' 60' ' ' LEU . 79.2 t80 -68.02 -68.72 0.37 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.766 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.77 -31.04 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 121.482 0.658 . . . . 0.0 110.101 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.9 -39.79 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.962 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.77 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 2.0 ptt? -75.7 -44.78 40.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.655 0.264 . . . . 0.0 110.802 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.591 ' N ' ' HG3' ' A' ' 79' ' ' MET . 75.0 t -63.38 -38.13 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.119 0.485 . . . . 0.0 110.057 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.644 HG23 ' HB3' ' A' ' 85' ' ' HIS . 3.3 m -67.99 -51.42 47.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.478 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.835 HG23 ' HB2' ' B' ' 71' ' ' GLN . 98.4 m -51.1 -27.13 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.077 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ALA . . . . . 0.987 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -78.35 -70.93 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 5.3 p -87.25 -54.1 4.49 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.644 ' HB3' HG23 ' A' ' 81' ' ' THR . 5.4 t60 -46.01 -25.32 0.54 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.083 0.468 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -48.96 -64.3 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.616 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.58 -27.58 7.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.768 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 12.0 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.79 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' GLU . . . . . 0.668 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -66.03 -36.4 83.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 110.801 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -58.84 -22.71 59.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.781 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.66 -47.03 12.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -74.23 -37.73 63.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.072 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.546 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -64.71 -45.69 85.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.953 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.45 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -57.01 -54.96 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.998 0.427 . . . . 0.0 110.089 179.414 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 t -72.85 -20.85 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.344 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.67 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -59.31 -43.3 92.65 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.406 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 3.4 mt -65.59 -46.14 80.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.416 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 7' ' ' MET . 8.1 mt -59.06 -37.15 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.793 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -56.34 -39.97 73.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.59 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.639 HG12 ' HG ' ' B' ' 35' ' ' LEU . 9.4 t -62.35 -65.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -60.94 -25.99 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 15' ' ' HIS . . . . . 0.46 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 42.0 t60 -77.02 -19.41 57.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -45.57 12.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.887 0.375 . . . . 0.0 110.248 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.746 ' CG ' HD21 ' B' ' 35' ' ' LEU . 3.3 m-85 -83.19 -61.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.961 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -62.98 122.03 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.614 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.608 0.242 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 5.0 t-160 -134.95 -32.66 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.437 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.711 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.95 160.58 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.63 HD13 ' O ' ' B' ' 68' ' ' CYS . 5.6 mp -135.13 139.08 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.961 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -91.81 179.48 5.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.191 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.426 ' N ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -55.66 -23.09 26.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.115 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.17 -44.1 15.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.177 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.47 ' HB3' HD23 ' B' ' 27' ' ' LEU . 2.3 mm-40 -72.89 -68.23 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 111.545 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.74 HD13 ' N ' ' B' ' 33' ' ' LYS . 1.4 tm? -49.68 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.606 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.821 ' HG3' HG11 ' B' ' 53' ' ' VAL . 26.7 ttmt -46.84 -43.9 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.586 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.496 ' HB3' ' CZ ' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -47.16 -47.91 23.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.617 -179.635 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.746 HD21 ' CG ' ' B' ' 17' ' ' TYR . 3.4 mm? -62.8 -50.28 71.62 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.288 0.566 . . . . 0.0 110.708 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.85 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.1 mt -47.44 -46.01 10.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.687 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.12 -28.02 42.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.038 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.454 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 31.8 t30 -71.95 -30.32 65.17 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.63 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' B' ' 35' ' ' LEU . 5.3 mt-10 -109.1 -55.44 2.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' B' ' 36' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.68 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.883 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.706 ' O ' HG22 ' B' ' 52' ' ' VAL . 17.6 mm-40 -73.29 155.55 39.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -61.86 -33.15 73.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.74 -44.52 85.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.481 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.925 ' O ' HG23 ' B' ' 56' ' ' VAL . 26.1 m -66.32 -35.37 74.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.537 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.821 HG11 ' HG3' ' B' ' 33' ' ' LYS . 2.4 t -55.76 -56.08 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 120.568 0.223 . . . . 0.0 110.952 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.27 -39.6 57.11 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 59' ' ' THR . 10.2 ttmt -67.57 -42.08 83.14 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.545 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 52' ' ' VAL . 36.9 t -56.94 -62.1 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.434 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.446 ' SD ' HD12 ' B' ' 32' ' ' LEU . 29.1 mtp -57.04 -24.13 51.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.512 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.2 -27.4 23.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.334 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.644 HG22 ' HB2' ' D' ' 8' ' ' ASN . 37.3 m -75.96 -28.71 58.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.932 HD11 ' CD1' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -80.83 -50.99 9.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.764 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 t70 37.57 75.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.909 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASN . . . . . 0.403 ' HB2' ' HB2' ' B' ' 72' ' ' GLU . 1.7 m120 -76.01 -61.22 2.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 110.756 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -174.83 35.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.0 7.78 14.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.692 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.45 26.49 15.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.71 18.43 5.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.963 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.457 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -117.33 155.68 29.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.008 0.432 . . . . 0.0 110.593 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.63 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -100.86 86.5 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.217 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.711 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -76.22 -172.37 2.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.097 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.644 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 4.9 t80 -74.33 -20.17 60.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.784 0.325 . . . . 0.0 111.184 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.835 ' HB2' HG23 ' A' ' 82' ' ' THR . 17.6 pt20 -83.33 -28.93 28.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.475 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' B' ' 62' ' ' ASN . 0.0 OUTLIER -86.07 -41.46 14.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.415 -179.228 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.644 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -72.73 -45.86 56.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.296 . . . . 0.0 110.459 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -62.85 -38.44 90.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -73.56 -24.25 60.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.786 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.932 ' CD1' HD11 ' B' ' 60' ' ' LEU . 79.2 t80 -68.05 -68.64 0.37 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.81 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.8 -31.04 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 121.431 0.634 . . . . 0.0 110.093 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.86 -39.82 19.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.901 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.779 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 2.0 ptt? -75.72 -44.78 40.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.645 0.259 . . . . 0.0 110.805 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.588 ' N ' ' HG3' ' B' ' 79' ' ' MET . 74.8 t -63.39 -38.07 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.201 0.524 . . . . 0.0 110.08 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.633 HG23 ' HB3' ' B' ' 85' ' ' HIS . 3.3 m -67.94 -51.52 46.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.517 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.853 HG23 ' HB2' ' A' ' 71' ' ' GLN . 98.3 m -51.05 -27.12 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.054 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -78.35 -70.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 5.2 p -87.36 -54.02 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.633 ' HB3' HG23 ' B' ' 81' ' ' THR . 5.4 t60 -46.03 -25.32 0.54 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.071 0.463 . . . . 0.0 110.836 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -49.07 -64.17 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.634 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.6 -27.49 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 12.0 m-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.746 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.904 0.383 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 20.0 p -98.34 -1.9 40.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.34 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.862 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -79.24 -3.22 44.81 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.114 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 0.862 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 44.68 13.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.987 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 22.4 t0 38.65 28.93 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.978 ' CD2' HD13 ' C' ' 11' ' ' LEU . 10.1 m95 -89.15 -30.02 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.637 ' HB2' HG22 ' A' ' 59' ' ' THR . 3.4 m-20 80.7 -162.99 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.479 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.45 -41.63 0.09 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.986 HD12 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.62 -60.28 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 118.129 0.422 . . . . 0.0 111.674 -178.406 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.986 HD12 HD12 ' C' ' 10' ' ' ILE . 1.3 mp -89.21 -14.51 35.82 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.127 179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 1' ' ' THR . . . . . 0.647 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.742 0.306 . . . . 0.0 111.198 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -68.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 19.8 p -98.36 -1.92 40.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.31 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 0.871 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -79.17 -3.26 44.77 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.1 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 0.871 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 44.77 13.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.789 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.98 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 22.4 t0 38.8 28.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.976 ' CD2' HD13 ' D' ' 11' ' ' LEU . 10.0 m95 -89.17 -30.04 18.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.644 ' HB2' HG22 ' B' ' 59' ' ' THR . 3.4 m-20 80.61 -163.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.506 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.37 -41.67 0.08 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.989 HD12 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.53 -60.4 1.53 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 122.034 -0.416 . . . . 0.0 111.687 -178.452 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.989 HD12 HD12 ' D' ' 10' ' ' ILE . 1.3 mp -89.14 -14.59 35.82 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.423 ' N ' ' O ' ' D' ' 8' ' ' ASN . 94.0 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.922 0.392 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.96 -23.28 63.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.4 -25.86 61.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.094 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.8 -44.99 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.137 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.572 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -72.64 -55.72 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.603 -179.533 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.418 ' CA ' ' HB1' ' B' ' 6' ' ' ALA . . . -57.1 -50.49 72.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.748 0.309 . . . . 0.0 111.539 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.596 ' CE ' HG13 ' B' ' 77' ' ' VAL . 22.3 ttm -48.34 -66.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.77 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.19 -19.74 24.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.655 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -60.39 -42.07 95.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.181 0.515 . . . . 0.0 109.942 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.766 HD21 ' HE1' ' A' ' 74' ' ' MET . 0.8 OUTLIER -72.0 -37.19 69.86 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.662 179.031 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.506 HG23 ' CD1' ' A' ' 70' ' ' PHE . 3.7 mt -66.65 -41.52 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.86 -40.12 28.36 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.72 HG12 HD11 ' A' ' 35' ' ' LEU . 41.8 t -57.85 -48.5 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.033 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.547 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -70.58 -27.44 64.12 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.434 179.226 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.48 -22.15 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.42 -38.44 24.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.862 0.363 . . . . 0.0 110.46 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.422 ' CG ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 m-85 -82.8 -57.64 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -63.28 125.13 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.122 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.52 179.874 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.542 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 19.8 t-160 60.96 41.05 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.966 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.626 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -174.84 148.44 1.08 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.176 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.633 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 2.4 mm? -129.11 138.47 51.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.189 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HA ' ' HE1' ' A' ' 57' ' ' MET . 0.5 OUTLIER -111.96 -177.72 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.297 0.57 . . . . 0.0 111.831 -178.895 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -58.51 -19.81 40.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.969 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -83.19 -56.63 3.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -74.75 -59.99 2.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.25 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.484 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.6 tm? -42.46 -62.45 0.97 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.803 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.549 ' CE ' HG12 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -52.87 -63.5 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 111.179 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 4.2 mt-10 -51.88 -26.23 9.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.345 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.72 HD11 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -67.83 -57.2 6.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 111.092 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.559 HG23 HD13 ' A' ' 40' ' ' LEU . 1.6 mt -45.68 -63.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -56.52 -21.97 29.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.733 0.301 . . . . 0.0 110.875 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 42.7 t30 -84.46 -41.3 16.74 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HG3' ' CG1' ' A' ' 13' ' ' VAL . 60.4 mm-40 -90.74 -35.45 14.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.559 HD13 HG23 ' A' ' 36' ' ' ILE . 7.9 mp . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.67 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.7 0.286 . . . . 0.0 111.379 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -165.32 173.9 10.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.511 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -39.22 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.97 0.414 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.87 -44.12 96.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.908 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.4 m -61.53 -41.35 89.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.519 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 49' ' ' GLU . 3.3 t -51.96 -56.52 5.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.678 0.275 . . . . 0.0 111.057 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -48.99 -41.34 34.04 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.027 0.441 . . . . 0.0 110.088 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' THR . 8.1 ttmt -70.23 -40.97 74.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.569 178.647 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 52' ' ' VAL . 47.6 t -57.76 -57.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.488 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.518 ' HE1' ' HA ' ' A' ' 28' ' ' LYS . 2.2 ppp? -59.02 -22.31 60.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.006 0.431 . . . . 0.0 109.961 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.75 -29.43 23.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.91 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.611 HG21 HG22 ' C' ' 10' ' ' ILE . 2.5 m -70.88 -30.09 66.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.784 HD12 ' SG ' ' A' ' 68' ' ' CYS . 16.5 mt -80.25 -19.97 45.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -49.47 99.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -83.59 -59.12 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 178.03 39.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.401 ' HA3' ' NZ ' ' A' ' 26' ' ' LYS . . . -95.67 -57.46 1.18 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.622 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -178.59 39.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 111.261 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.32 17.14 51.98 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.03 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -123.7 -177.48 3.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.723 0.296 . . . . 0.0 110.395 179.763 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.784 ' SG ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -107.86 86.33 2.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.81 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.57 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 4.6 p-10 -84.17 -162.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.714 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.506 ' CD1' HG23 ' A' ' 11' ' ' ILE . 3.6 t80 -71.84 -32.8 67.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.103 0.478 . . . . 0.0 110.669 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.94 -32.45 72.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.321 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 1.4 mm-40 -78.12 -22.6 48.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.741 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 1.1 m-30 -61.99 -46.85 87.42 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.766 ' HE1' HD21 ' A' ' 10' ' ' LEU . 19.1 mmt -63.38 -58.18 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.382 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.63 -25.05 24.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 80' ' ' VAL . 41.5 t80 -74.37 -73.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.718 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.594 HG13 ' CE ' ' B' ' 7' ' ' MET . 13.3 t -58.72 -19.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 74' ' ' MET . . . -81.66 -53.19 6.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.883 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.1 mtm -70.53 -45.59 65.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.229 0.538 . . . . 0.0 110.654 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.849 HG13 ' NE1' ' C' ' 7' ' ' TRP . 60.3 t -59.19 -55.21 25.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.142 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -71.57 -53.21 14.51 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.698 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.469 ' N ' ' CG2' ' A' ' 81' ' ' THR . 84.7 m -50.8 -23.44 2.75 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.03 -71.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.881 0.372 . . . . 0.0 111.679 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.476 ' HB2' HG22 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -87.71 -53.01 5.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.015 -178.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 81' ' ' THR . 7.9 t60 -49.04 -22.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.943 0.401 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -49.24 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.462 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.6 -7.43 7.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 179.254 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.884 0.373 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -59.97 -23.2 63.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.4 -25.83 61.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.89 -45.02 13.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.098 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -72.65 -55.77 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.56 -179.538 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.418 ' HB1' ' CA ' ' A' ' 6' ' ' ALA . . . -56.99 -50.57 72.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 111.501 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.594 ' CE ' HG13 ' A' ' 77' ' ' VAL . 22.3 ttm -48.34 -66.73 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.898 0.38 . . . . 0.0 110.735 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.01 -19.87 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.677 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -60.32 -42.03 94.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.118 0.485 . . . . 0.0 109.902 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.8 HD21 ' HE1' ' B' ' 74' ' ' MET . 0.8 OUTLIER -72.0 -37.18 69.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.633 179.129 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.512 HG23 ' CD1' ' B' ' 70' ' ' PHE . 3.7 mt -66.69 -41.52 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.92 -40.09 28.68 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.736 HG12 HD11 ' B' ' 35' ' ' LEU . 41.4 t -57.82 -48.54 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.023 178.439 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.548 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -70.66 -27.46 64.06 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.416 179.292 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -77.5 -22.01 51.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.35 -38.44 24.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.948 0.404 . . . . 0.0 110.517 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.419 ' CG ' ' HG ' ' B' ' 35' ' ' LEU . 2.2 m-85 -82.9 -57.62 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -63.28 125.11 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 179.851 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.885 0.374 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 19.9 t-160 60.99 41.04 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.981 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.631 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -174.91 148.49 1.05 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.135 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.631 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.4 mm? -129.12 138.49 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.171 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.512 ' HA ' ' HE1' ' B' ' 57' ' ' MET . 0.5 OUTLIER -111.92 -177.81 3.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.263 0.554 . . . . 0.0 111.836 -178.873 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -58.54 -19.73 40.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.962 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.0 t -83.13 -56.66 3.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.831 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 0.5 OUTLIER -74.78 -59.92 2.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.294 -179.771 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.473 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.6 tm? -42.66 -62.36 1.01 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.765 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.548 ' CE ' HG12 ' B' ' 53' ' ' VAL . 0.1 OUTLIER -52.89 -63.49 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 111.218 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -51.74 -26.36 9.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.435 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.736 HD11 HG12 ' B' ' 13' ' ' VAL . 0.4 OUTLIER -67.78 -57.19 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 0.0 111.106 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.54 HG23 HD13 ' B' ' 40' ' ' LEU . 1.6 mt -45.71 -63.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -56.48 -21.97 29.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.779 0.323 . . . . 0.0 110.939 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -84.46 -41.42 16.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.961 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.415 ' HG3' ' CG1' ' B' ' 13' ' ' VAL . 60.4 mm-40 -90.69 -35.44 14.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.54 HD13 HG23 ' B' ' 36' ' ' ILE . 7.9 mp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.591 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.6 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.614 0.245 . . . . 0.0 111.309 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.747 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.3 OUTLIER -165.41 173.83 10.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.47 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -39.17 61.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.73 -44.26 96.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.892 ' O ' HG23 ' B' ' 56' ' ' VAL . 25.4 m -61.48 -41.29 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.547 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 49' ' ' GLU . 3.3 t -52.0 -56.49 6.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.689 0.281 . . . . 0.0 111.088 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -49.01 -41.3 34.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.048 0.451 . . . . 0.0 110.077 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' B' ' 59' ' ' THR . 8.1 ttmt -70.27 -40.98 74.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.571 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 52' ' ' VAL . 47.2 t -57.66 -57.77 8.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.526 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.512 ' HE1' ' HA ' ' B' ' 28' ' ' LYS . 2.2 ppp? -58.99 -22.4 60.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.979 0.419 . . . . 0.0 109.963 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.64 -29.39 24.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.617 HG21 HG22 ' D' ' 10' ' ' ILE . 2.6 m -70.98 -30.15 66.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.781 HD12 ' SG ' ' B' ' 68' ' ' CYS . 16.5 mt -80.22 -19.82 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -49.59 99.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -83.59 -59.09 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 177.98 39.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.63 -57.53 1.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.62 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -178.61 39.26 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.771 0.319 . . . . 0.0 111.252 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.29 17.16 51.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.98 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.484 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.6 OUTLIER -123.77 -177.51 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.653 0.263 . . . . 0.0 110.351 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.781 ' SG ' HD12 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -107.86 86.44 2.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.839 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.576 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 4.6 p-10 -84.32 -162.08 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.656 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' B' ' 11' ' ' ILE . 3.6 t80 -71.8 -32.92 68.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.482 . . . . 0.0 110.673 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.85 -32.4 72.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.328 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.458 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 1.4 mm-40 -78.29 -22.45 48.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.743 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 1.1 m-30 -62.07 -46.83 87.4 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.8 ' HE1' HD21 ' B' ' 10' ' ' LEU . 19.1 mmt -63.34 -58.34 7.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.308 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.58 -25.03 23.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.007 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.599 ' O ' HG23 ' B' ' 80' ' ' VAL . 41.5 t80 -74.36 -73.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.596 HG13 ' CE ' ' A' ' 7' ' ' MET . 13.3 t -58.65 -19.47 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.245 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' B' ' 74' ' ' MET . . . -81.75 -53.14 6.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.844 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.2 mtm -70.53 -45.55 65.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.323 0.583 . . . . 0.0 110.746 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.846 HG13 ' NE1' ' D' ' 7' ' ' TRP . 59.8 t -59.14 -55.26 24.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.149 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -71.61 -53.18 14.53 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.642 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.472 ' N ' ' CG2' ' B' ' 81' ' ' THR . 85.1 m -50.8 -23.43 2.75 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' D' ' 1' ' ' THR . . . -82.0 -71.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 0.0 111.627 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' CYS . . . . . 0.46 ' HB2' HG22 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -87.68 -52.92 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.059 -178.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.425 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 7.9 t60 -49.09 -22.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -49.31 -64.85 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.503 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.61 -7.36 7.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.751 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.569 179.208 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.759 0.314 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.96 -4.79 31.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 0.804 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -80.68 -1.92 44.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.827 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 0.804 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 52.03 -7.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 123.901 0.88 . . . . 0.0 113.314 -179.373 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.586 ' H ' ' C ' ' C' ' 4' ' ' LYS . 22.9 t70 55.18 15.36 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.849 ' NE1' HG13 ' A' ' 80' ' ' VAL . 10.3 m0 -64.35 -32.54 74.19 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.719 ' O ' ' HA ' ' C' ' 12' ' ' SER . 50.0 m-20 102.21 -94.68 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.933 0.893 . . . . 0.0 113.29 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.471 ' H ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -96.26 -43.39 7.73 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -177.674 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.635 HG12 HG22 ' A' ' 56' ' ' VAL . 2.5 tp -52.05 -59.41 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.581 0.229 . . . . 0.0 110.803 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.605 ' H ' HG23 ' C' ' 10' ' ' ILE . 26.7 mt -92.23 -11.53 35.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.719 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 23.3 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.053 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 1' ' ' THR . . . . . 0.436 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.696 0.284 . . . . 0.0 111.22 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -71.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.987 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.95 -4.72 32.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.609 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 0.796 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -80.82 -1.85 44.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.766 -0.197 . . . . 0.0 110.765 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 0.796 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 52.05 -7.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.924 0.89 . . . . 0.0 113.246 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' D' ' 4' ' ' LYS . 22.9 t70 55.26 15.38 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.846 ' NE1' HG13 ' B' ' 80' ' ' VAL . 10.3 m0 -64.5 -32.45 74.09 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.721 ' O ' ' HA ' ' D' ' 12' ' ' SER . 50.0 m-20 102.1 -94.68 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.913 0.885 . . . . 0.0 113.295 178.027 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 9' ' ' LYS . . . . . 0.463 ' H ' ' CG2' ' B' ' 59' ' ' THR . 0.0 OUTLIER -96.2 -43.43 7.73 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -177.721 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.639 HD11 ' HB ' ' B' ' 52' ' ' VAL . 2.5 tp -52.04 -59.36 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.501 0.191 . . . . 0.0 110.776 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.62 ' H ' HG23 ' D' ' 10' ' ' ILE . 26.5 mt -92.31 -11.53 34.88 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.721 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 23.3 t . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.967 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.807 0.337 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.16 -24.68 63.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.651 ' HB2' HD21 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -63.33 -52.41 61.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -40.38 65.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 1.8 mtpp -61.24 -57.39 12.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -56.66 -50.23 72.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' MET . . . . . 0.544 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.7 ttm -47.92 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 t -69.66 -17.13 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.853 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -61.21 -43.52 98.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.251 0.548 . . . . 0.0 109.78 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -71.44 -38.51 71.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.477 178.854 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 7' ' ' MET . 2.7 mt -66.49 -33.1 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.124 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -51.74 -47.87 63.87 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.518 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.808 HG12 ' HG ' ' A' ' 35' ' ' LEU . 15.9 t -55.11 -43.9 72.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.018 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -72.07 -28.1 63.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.891 178.905 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -66.62 -20.75 66.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.02 -51.86 6.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.997 0.427 . . . . 0.0 109.913 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.776 ' CD2' HD11 ' A' ' 35' ' ' LEU . 20.0 m-85 -84.63 -65.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . 0.508 ' CB ' ' CD2' ' A' ' 14' ' ' PHE . 1.9 t -51.94 133.53 32.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.525 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.649 ' HA2' ' HB3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.468 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.238 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.649 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.919 0.39 . . . . 0.0 111.043 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' HIS . . . . . 0.61 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 2.7 t-80 -165.39 52.39 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.82 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.867 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.5 mtpp -164.02 168.38 19.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.365 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.867 HD13 ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -133.16 137.91 46.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.179 178.87 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 16.2 mttt -93.7 179.54 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HA ' ' HE3' ' A' ' 57' ' ' MET . 20.7 mmtp -52.69 -34.89 54.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.484 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -84.05 -37.42 22.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.738 -179.641 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.75 ' HG2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.6 -67.44 0.53 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.921 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.594 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.1 tm? -50.88 -61.03 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.974 0.416 . . . . 0.0 111.207 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.912 ' HG3' HG11 ' A' ' 53' ' ' VAL . 26.0 ttmt -50.6 -33.73 23.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.338 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.621 ' HB3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -56.56 -45.3 81.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.808 ' HG ' HG12 ' A' ' 13' ' ' VAL . 2.7 mm? -60.19 -44.55 94.99 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 121.378 0.608 . . . . 0.0 110.643 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ILE . . . . . 0.963 ' CG2' HD12 ' A' ' 40' ' ' LEU . 1.7 mt -52.03 -50.98 32.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.826 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.57 -19.54 52.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.693 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' GLU . 57.3 t30 -82.32 -29.4 31.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.673 0.273 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -117.62 -38.67 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.434 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.963 HD12 ' CG2' ' A' ' 36' ' ' ILE . 1.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.051 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.902 0.382 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 53' ' ' VAL . 24.1 mt-10 -120.91 172.15 8.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.12 -33.62 63.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.001 0.429 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.9 -44.46 85.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.596 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 56' ' ' VAL . 15.1 m -63.98 -40.63 89.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.677 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.912 HG11 ' HG3' ' A' ' 33' ' ' LYS . 1.6 t -53.62 -54.87 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.807 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -37.27 40.13 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HB3' HG12 ' C' ' 10' ' ' ILE . 0.9 OUTLIER -74.4 -34.78 63.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.156 178.281 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 52' ' ' VAL . 70.0 t -60.95 -62.67 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.767 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.438 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -55.0 -29.78 58.06 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.98 0.419 . . . . 0.0 110.131 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 57' ' ' MET . 1.6 mt-10 -75.0 -31.32 61.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.493 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' THR . . . . . 0.815 HG23 ' HB3' ' C' ' 8' ' ' ASN . 60.0 m -72.0 -17.39 62.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.34 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.964 HD13 ' HB2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -104.04 -24.04 13.25 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.663 179.288 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -44.05 124.9 4.1 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.586 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -121.04 -40.74 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.817 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -162.39 52.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' HA3' ' CE ' ' A' ' 26' ' ' LYS . . . -124.4 0.77 8.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.861 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.28 13.54 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.588 0.233 . . . . 0.0 111.215 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.65 -3.42 8.7 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.176 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -96.69 172.58 7.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.0 0.429 . . . . 0.0 110.438 179.854 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 68' ' ' CYS . . . . . 0.582 ' SG ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -128.91 85.83 2.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.643 179.541 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . 0.531 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 1.1 p-10 -77.65 -156.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.484 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' PHE . . . . . 0.495 ' CD1' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -73.32 -44.56 58.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.923 0.392 . . . . 0.0 111.088 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 1.4 pt20 -56.7 -30.02 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 1.5 mm-40 -72.46 -33.2 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.3 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PHE . . . . . 0.658 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -55.3 -42.93 74.33 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.651 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' MET . . . . . 0.442 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 24.8 mmm -58.74 -58.22 9.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.139 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' O ' ' HE2' ' A' ' 79' ' ' MET . . . -55.54 -23.5 27.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' PHE . . . . . 0.964 ' HB2' HD13 ' A' ' 60' ' ' LEU . 20.3 t80 -75.76 -74.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.236 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 73' ' ' PHE . 1.7 m -58.46 -27.16 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.383 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -75.68 -45.97 33.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' MET . . . . . 0.404 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 26.5 mtm -76.52 -54.71 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.442 . . . . 0.0 111.28 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.621 HG22 ' CD2' ' C' ' 7' ' ' TRP . 95.1 t -53.32 -55.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.087 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -63.93 -48.3 77.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.73 -178.928 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.421 ' N ' ' CG2' ' A' ' 81' ' ' THR . 27.6 m -55.22 -20.56 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.597 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.74 -72.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.411 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 p -87.94 -50.98 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.034 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' HIS . . . . . 0.436 ' HB3' ' O ' ' A' ' 81' ' ' THR . 12.5 t-80 -47.58 -26.1 1.35 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.968 0.414 . . . . 0.0 110.67 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -44.73 -64.13 0.76 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.437 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.95 -20.03 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.743 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CZ ' ' HB ' ' C' ' 3' ' ' THR . 11.7 m-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.903 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.779 0.323 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.97 -24.75 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' LEU . . . . . 0.642 ' HB2' HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -63.27 -52.44 62.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -40.32 65.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' LYS . . . . . 0.559 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 1.8 mtpp -61.2 -57.51 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -56.42 -50.44 71.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' MET . . . . . 0.532 ' O ' HG13 ' B' ' 11' ' ' ILE . 2.7 ttm -47.91 -66.4 0.41 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.72 -17.11 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.896 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -61.13 -43.68 98.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 0.0 109.767 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.463 HD23 ' O ' ' B' ' 6' ' ' ALA . 0.8 OUTLIER -71.27 -38.63 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.549 178.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 11' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 7' ' ' MET . 2.7 mt -66.53 -33.04 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -51.66 -47.85 63.63 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.62 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' VAL . . . . . 0.799 HG12 ' HG ' ' B' ' 35' ' ' LEU . 15.7 t -55.12 -43.92 72.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.036 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -72.06 -28.14 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.899 178.92 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -66.6 -20.78 66.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.946 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.04 -51.9 6.73 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' TYR . . . . . 0.76 ' CD2' HD11 ' B' ' 35' ' ' LEU . 20.4 m-85 -84.6 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' SER . . . . . 0.508 ' CB ' ' CD2' ' B' ' 14' ' ' PHE . 2.0 t -51.94 133.49 32.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.511 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' GLY . . . . . 0.643 ' H ' ' HG2' ' B' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.195 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' LYS . . . . . 0.643 ' HG2' ' H ' ' B' ' 19' ' ' GLY . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.884 0.373 . . . . 0.0 111.099 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' HIS . . . . . 0.609 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 2.7 t-80 -165.37 52.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.776 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' LYS . . . . . 0.888 ' O ' HD13 ' B' ' 27' ' ' LEU . 1.4 mtpp -164.11 168.27 19.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LEU . . . . . 0.888 HD13 ' O ' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -132.99 137.91 46.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.789 0.328 . . . . 0.0 110.213 178.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -93.69 179.51 5.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.198 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 29' ' ' LYS . . . . . 0.426 ' HA ' ' HE3' ' B' ' 57' ' ' MET . 20.7 mmtp -52.7 -34.95 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.399 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' B' ' 34' ' ' GLU . 0.9 OUTLIER -84.04 -37.34 22.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.729 -179.608 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 31' ' ' GLU . . . . . 0.752 ' HG2' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -71.72 -67.45 0.53 Allowed 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.929 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 32' ' ' LEU . . . . . 0.597 HD13 ' C ' ' B' ' 32' ' ' LEU . 3.1 tm? -50.72 -61.0 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.098 0.475 . . . . 0.0 111.294 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LYS . . . . . 0.935 ' HG3' HG11 ' B' ' 53' ' ' VAL . 26.1 ttmt -50.77 -33.65 24.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.267 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.608 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -56.64 -45.32 81.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.042 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LEU . . . . . 0.799 ' HG ' HG12 ' B' ' 13' ' ' VAL . 2.7 mm? -60.04 -44.55 94.59 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 121.444 0.64 . . . . 0.0 110.748 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ILE . . . . . 0.957 ' CG2' HD12 ' B' ' 40' ' ' LEU . 1.7 mt -52.15 -50.96 33.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.724 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.61 -19.45 52.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.718 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 34' ' ' GLU . 57.4 t30 -82.39 -29.3 30.93 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.081 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 35' ' ' LEU . 18.7 mt-10 -117.77 -38.6 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.364 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.957 HD12 ' CG2' ' B' ' 36' ' ' ILE . 1.1 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.014 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' LYS . . . . . 0.488 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.815 0.341 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' GLU . . . . . 0.628 ' O ' HG23 ' B' ' 53' ' ' VAL . 24.0 mt-10 -120.78 172.14 8.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.396 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.25 -33.55 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.89 -44.54 84.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.527 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' VAL . . . . . 0.685 ' O ' HG23 ' B' ' 56' ' ' VAL . 15.0 m -63.97 -40.68 89.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.663 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' VAL . . . . . 0.935 HG11 ' HG3' ' B' ' 33' ' ' LYS . 1.6 t -53.52 -54.85 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.85 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.88 -37.15 41.88 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HB3' HG12 ' D' ' 10' ' ' ILE . 0.9 OUTLIER -74.34 -34.79 63.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.148 178.191 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 56' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 52' ' ' VAL . 69.8 t -60.98 -62.65 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.697 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' MET . . . . . 0.43 ' HG3' ' N ' ' B' ' 58' ' ' GLU . 0.0 OUTLIER -55.14 -29.7 58.28 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-O 120.995 0.426 . . . . 0.0 110.101 179.093 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 58' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' B' ' 57' ' ' MET . 1.6 mt-10 -74.98 -31.26 61.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.514 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 59' ' ' THR . . . . . 0.813 HG23 ' HB3' ' D' ' 8' ' ' ASN . 58.8 m -72.03 -17.38 62.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.317 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 60' ' ' LEU . . . . . 0.947 HD13 ' HB2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -104.09 -24.04 13.24 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.598 179.324 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -43.98 124.93 4.07 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.545 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -121.03 -40.79 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -162.39 52.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 64' ' ' GLY . . . . . 0.417 ' HA3' ' CE ' ' B' ' 26' ' ' LYS . . . -124.48 0.84 8.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.845 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.21 13.61 9.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.668 0.271 . . . . 0.0 111.245 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.6 -3.52 8.73 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.227 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLU . . . . . 0.476 ' HB3' ' HB3' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -96.7 172.67 7.75 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.971 0.415 . . . . 0.0 110.445 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 68' ' ' CYS . . . . . 0.593 ' SG ' HD12 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -128.97 85.7 2.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.684 179.617 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 69' ' ' ASP . . . . . 0.559 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 1.1 p-10 -77.52 -156.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.504 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 70' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -73.36 -44.5 58.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.968 0.413 . . . . 0.0 111.134 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 71' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 1.4 pt20 -56.67 -30.08 63.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.962 0.41 . . . . 0.0 110.917 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLU . . . . . 0.549 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 1.5 mm-40 -72.47 -33.16 66.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.269 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -55.36 -42.83 74.44 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 74' ' ' MET . . . . . 0.443 ' O ' ' CB ' ' B' ' 78' ' ' ALA . 24.2 mmm -58.83 -58.27 9.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.198 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' ALA . . . . . 0.427 ' O ' ' HE2' ' B' ' 79' ' ' MET . . . -55.44 -23.51 25.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' PHE . . . . . 0.947 ' HB2' HD13 ' B' ' 60' ' ' LEU . 20.4 t80 -75.82 -74.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.191 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 77' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 73' ' ' PHE . 1.7 m -58.29 -27.2 32.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.429 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -75.77 -46.01 33.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' MET . . . . . 0.427 ' HE2' ' O ' ' B' ' 75' ' ' ALA . 26.7 mtm -76.42 -54.83 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.438 . . . . 0.0 111.267 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' VAL . . . . . 0.632 HG22 ' CD2' ' D' ' 7' ' ' TRP . 94.0 t -53.2 -55.83 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.068 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 81' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' B' ' 85' ' ' HIS . 0.6 OUTLIER -63.97 -48.41 76.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.672 -178.831 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' B' ' 81' ' ' THR . 27.5 m -55.17 -20.59 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.54 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.64 -72.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.353 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 p -87.88 -51.05 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.059 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' B' ' 81' ' ' THR . 13.4 t-80 -47.39 -26.27 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.907 0.384 . . . . 0.0 110.685 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -44.56 -64.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.527 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.97 -19.92 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.718 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' D' ' 3' ' ' THR . 11.8 m-85 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.902 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.9 0.381 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 3' ' ' THR . . . . . 0.486 ' HB ' ' CZ ' ' A' ' 88' ' ' PHE . 10.6 t -98.43 1.68 47.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.297 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 4' ' ' LYS . . . . . 1.047 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -85.8 -2.39 58.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.014 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 5' ' ' ILE . . . . . 1.047 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 31.31 41.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.629 0.728 . . . . 0.0 111.14 -179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 6' ' ' ASP . . . . . 0.503 ' HB2' ' HD3' ' C' ' 4' ' ' LYS . 4.8 t0 -59.61 78.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.686 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 7' ' ' TRP . . . . . 0.621 ' CD2' HG22 ' A' ' 80' ' ' VAL . 18.8 m0 -79.02 -54.34 6.12 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 177.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 8' ' ' ASN . . . . . 0.815 ' HB3' HG23 ' A' ' 59' ' ' THR . 6.4 t-20 178.36 -100.57 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.477 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' LYS . . . . . 0.411 ' HD2' ' HG2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -98.46 -33.16 11.13 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -179.395 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 10' ' ' ILE . . . . . 0.748 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.77 -55.08 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.931 -178.288 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 11' ' ' LEU . . . . . 0.748 HD23 HG23 ' C' ' 10' ' ' ILE . 3.5 mm? -89.02 -33.5 17.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.551 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 12' ' ' SER . . . . . 0.454 ' OXT' ' CE ' ' C' ' 4' ' ' LYS . 46.0 t . . . . . 0 C--O 1.248 0.996 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.119 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.75 0.309 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -71.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.654 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 3' ' ' THR . . . . . 0.479 ' HB ' ' CZ ' ' B' ' 88' ' ' PHE . 10.7 t -98.44 1.69 47.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.362 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 4' ' ' LYS . . . . . 1.031 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -85.84 -2.36 58.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.082 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 5' ' ' ILE . . . . . 1.031 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 31.36 41.73 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.585 0.707 . . . . 0.0 111.149 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 6' ' ' ASP . . . . . 0.497 ' HB2' ' HD3' ' D' ' 4' ' ' LYS . 4.8 t0 -59.62 78.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.737 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 7' ' ' TRP . . . . . 0.632 ' CD2' HG22 ' B' ' 80' ' ' VAL . 18.9 m0 -79.05 -54.26 6.19 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 8' ' ' ASN . . . . . 0.813 ' HB3' HG23 ' B' ' 59' ' ' THR . 6.4 t-20 178.31 -100.52 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.466 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 9' ' ' LYS . . . . . 0.41 ' HD2' ' HG2' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -98.55 -33.14 11.1 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 10' ' ' ILE . . . . . 0.744 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.74 -55.15 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.916 -178.271 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 11' ' ' LEU . . . . . 0.744 HD23 HG23 ' D' ' 10' ' ' ILE . 3.5 mm? -88.91 -33.52 17.27 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 12' ' ' SER . . . . . 0.458 ' OXT' ' CE ' ' D' ' 4' ' ' LYS . 46.3 t . . . . . 0 C--O 1.248 0.999 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.099 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.783 0.325 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.791 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.4 OUTLIER -60.17 -34.34 73.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.947 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.757 HD22 HD11 ' B' ' 40' ' ' LEU . 3.1 mp -60.37 -26.18 66.43 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.51 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.08 -37.4 22.1 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.359 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -81.97 -40.03 22.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.635 0.255 . . . . 0.0 110.524 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.522 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -64.6 -37.33 87.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.838 0.351 . . . . 0.0 110.427 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.432 ' O ' HG13 ' A' ' 11' ' ' ILE . 5.0 mtt -60.0 -61.03 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.117 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.7 -22.93 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.079 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.827 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -57.17 -41.62 79.6 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.247 0.546 . . . . 0.0 109.632 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.805 HD13 ' HE1' ' A' ' 74' ' ' MET . 3.1 mt -68.99 -48.42 63.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.856 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.883 HD11 ' CE1' ' B' ' 85' ' ' HIS . 7.7 mt -53.69 -53.12 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.368 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.81 -41.05 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.328 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 9' ' ' ALA . 21.9 t -57.36 -45.43 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.346 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -82.3 -35.28 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.774 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -70.41 -22.37 62.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -84.08 -46.71 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.364 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.455 ' CZ ' ' HG ' ' A' ' 35' ' ' LEU . 5.5 m-85 -82.78 -59.5 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -61.43 124.68 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.71 44.81 0.37 Allowed Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.655 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mtm105 -105.28 -45.8 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.04 -48.93 74.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.094 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.58 -54.57 0.4 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.534 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.91 -39.01 83.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mttm 62.67 -170.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.744 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.4 t60 57.24 37.96 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.062 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.744 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -165.18 149.3 8.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.931 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 2.2 mp -137.47 132.48 33.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.954 0.407 . . . . 0.0 111.607 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -93.06 172.83 8.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.69 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 20.4 mttt -49.39 -28.78 5.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -83.21 -39.75 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.074 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.7 mm-40 -67.62 -45.09 76.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.524 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.22 -63.42 1.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -46.33 -65.14 0.6 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.68 -179.161 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -47.2 -46.37 23.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.21 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.75 HD11 HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -58.54 -46.43 86.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.13 0.49 . . . . 0.0 110.581 179.762 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.907 HG21 HG13 ' A' ' 47' ' ' ILE . 1.8 mt -59.61 -51.24 75.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.953 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.62 -14.93 63.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.167 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -88.13 -47.31 8.58 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.25 -38.41 12.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.757 HD11 HD22 ' B' ' 3' ' ' LEU . 0.3 OUTLIER -109.13 77.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.89 -27.75 14.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -105.36 -24.37 12.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -130.3 82.39 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.358 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.415 HD23 HG22 ' A' ' 36' ' ' ILE . 1.5 mt -89.23 -71.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 68.34 -64.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.463 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.837 ' O ' HD13 ' A' ' 47' ' ' ILE . 3.0 pm0 -75.87 -4.03 38.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.884 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.907 HG13 HG21 ' A' ' 36' ' ' ILE . 4.4 mm -141.56 112.61 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.785 0.326 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 -87.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.1 mt-10 -94.09 -176.64 4.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.617 0.246 . . . . 0.0 110.535 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -76.31 -40.51 51.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.886 0.374 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.97 -41.88 95.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.3 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.2 m -60.8 -44.43 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.216 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.782 HG22 ' CG2' ' A' ' 47' ' ' ILE . 1.5 t -51.73 -51.18 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.627 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -47.39 -45.48 25.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.999 0.428 . . . . 0.0 109.976 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.538 ' HB3' HD13 ' C' ' 10' ' ' ILE . 0.6 OUTLIER -71.39 -35.75 71.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.487 178.507 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 52' ' ' VAL . 98.1 t -59.12 -56.3 17.94 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.06 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.303 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.421 ' HG2' ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -61.46 -26.35 67.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.037 0.446 . . . . 0.0 109.957 179.121 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.32 -31.63 48.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.304 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.756 HG22 ' HB2' ' C' ' 8' ' ' ASN . 8.3 m -64.32 -20.66 66.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.946 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 76' ' ' PHE . 1.2 mp -109.77 -9.82 14.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.458 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.95 102.09 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.899 0.38 . . . . 0.0 111.103 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -114.82 -35.11 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.726 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 -94.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.83 22.45 6.43 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.11 22.81 13.06 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.84 -53.27 0.81 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.943 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.742 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 1.8 pt-20 -148.64 -176.03 5.16 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.615 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.5 m -118.57 121.79 41.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 27' ' ' LEU . 30.1 p30 -93.88 -153.84 0.39 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.222 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.516 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.9 t80 -72.48 -34.91 68.02 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.661 0.267 . . . . 0.0 111.3 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.86 ' HA ' HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -74.16 -25.49 59.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.827 -179.187 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 39.4 mm-40 -79.7 -39.81 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 111.252 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -77.97 -32.93 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.398 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.805 ' HE1' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.23 -42.84 99.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.01 62.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.028 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.733 ' CD1' HD11 ' A' ' 60' ' ' LEU . 25.4 t80 -66.97 -70.73 0.23 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.823 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.474 ' O ' ' HB ' ' A' ' 81' ' ' THR . 1.1 p -48.6 -29.6 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.665 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.92 -46.06 13.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.952 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.88 -55.28 20.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.36 0.6 . . . . 0.0 110.102 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.724 HG22 ' CE2' ' C' ' 7' ' ' TRP . 78.7 t -56.8 -37.45 53.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.923 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 77' ' ' VAL . 8.7 m -78.07 -65.2 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.432 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.847 HG23 ' HA ' ' B' ' 71' ' ' GLN . 34.3 m -44.19 -27.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.466 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' C' ' 5' ' ' ILE . . . -82.3 -66.45 0.89 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -52.25 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.87 ' CE1' HD11 ' B' ' 11' ' ' ILE . 0.1 OUTLIER -48.58 -21.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.474 . . . . 0.0 110.663 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.434 ' HG3' ' CE1' ' B' ' 25' ' ' HIS . 7.0 tt0 -53.96 -64.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.56 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.69 -15.95 11.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.077 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.73 -14.13 49.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.181 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -48.57 -28.97 3.77 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.771 0.32 . . . . 0.0 111.317 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -70.54 -48.06 57.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.861 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.761 0.315 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.817 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -60.1 -34.47 73.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.397 0.618 . . . . 0.0 110.96 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.757 HD22 HD11 ' A' ' 40' ' ' LEU . 3.0 mp -60.26 -26.17 66.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.447 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -84.09 -37.37 22.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.615 0.245 . . . . 0.0 111.369 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.582 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -82.03 -39.9 22.84 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.551 179.636 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.522 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -64.68 -37.32 87.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.931 0.396 . . . . 0.0 110.492 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.431 ' O ' HG13 ' B' ' 11' ' ' ILE . 5.0 mtt -60.01 -60.96 2.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.201 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.67 -23.03 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.843 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -57.19 -41.5 79.44 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.248 0.547 . . . . 0.0 109.692 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.883 HD13 ' HE1' ' B' ' 74' ' ' MET . 3.1 mt -69.06 -48.36 63.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.899 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.87 HD11 ' CE1' ' A' ' 85' ' ' HIS . 7.8 mt -53.79 -53.06 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.376 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.85 -41.01 61.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.361 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 9' ' ' ALA . 21.9 t -57.31 -45.45 85.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.371 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.588 ' HD2' HD11 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -82.25 -35.43 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.731 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.444 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.0 OUTLIER -70.27 -22.47 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -84.04 -46.62 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.996 0.427 . . . . 0.0 110.461 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.456 ' CE2' ' HG ' ' B' ' 35' ' ' LEU . 5.5 m-85 -82.95 -59.39 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -61.39 124.64 21.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.51 45.65 0.35 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.541 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mtm105 -106.14 -45.64 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.083 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.2 -48.76 74.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.47 -54.52 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.563 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.87 -39.0 83.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.885 0.374 . . . . 0.0 110.787 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 mttm 62.55 -170.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.737 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 1.4 t60 57.13 38.03 28.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.067 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.737 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -165.17 149.32 8.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.931 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.755 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 2.2 mp -137.49 132.53 33.42 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 111.621 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' B' ' 67' ' ' GLU . 11.6 pttm -93.1 172.86 8.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.667 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 20.3 mttt -49.41 -28.85 5.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.277 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -83.09 -39.72 20.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.188 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.7 mm-40 -67.62 -45.11 76.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.489 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.19 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.519 ' HD3' ' H ' ' B' ' 33' ' ' LYS . 0.8 OUTLIER -46.38 -65.1 0.6 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.684 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -47.17 -46.46 23.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.138 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.756 HD11 HG12 ' B' ' 13' ' ' VAL . 0.3 OUTLIER -58.46 -46.46 86.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.153 0.501 . . . . 0.0 110.625 179.763 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.888 HG21 HG13 ' B' ' 47' ' ' ILE . 1.8 mt -59.54 -51.35 73.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.056 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.54 -14.88 63.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.183 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -88.09 -47.3 8.6 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.3 -38.42 12.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.21 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.757 HD11 HD22 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -109.15 77.57 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.98 -27.68 14.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -105.42 -24.4 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -130.27 82.47 2.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.306 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.431 HD23 HG22 ' B' ' 36' ' ' ILE . 1.5 mt -89.27 -71.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.386 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 68.43 -64.16 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.463 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.845 ' O ' HD13 ' B' ' 47' ' ' ILE . 3.0 pm0 -75.94 -4.08 39.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.846 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.888 HG13 HG21 ' B' ' 36' ' ' ILE . 4.4 mm -141.59 112.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.851 0.358 . . . . 0.0 110.532 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.404 ' HB2' ' H ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -93.87 -87.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -179.459 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.624 ' O ' HG23 ' B' ' 53' ' ' VAL . 2.1 mt-10 -94.19 -176.64 4.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.694 0.283 . . . . 0.0 110.483 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -76.36 -40.52 50.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.96 -41.82 95.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.273 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.745 ' O ' HG23 ' B' ' 56' ' ' VAL . 18.3 m -60.69 -44.63 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.187 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.78 HG22 ' CG2' ' B' ' 47' ' ' ILE . 1.5 t -51.6 -51.24 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -47.44 -45.39 25.64 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.047 0.451 . . . . 0.0 110.022 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.548 ' HB3' HD13 ' D' ' 10' ' ' ILE . 0.6 OUTLIER -71.4 -35.83 71.15 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.443 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 52' ' ' VAL . 98.1 t -59.11 -56.2 18.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.412 ' HG2' ' HE3' ' B' ' 33' ' ' LYS . 0.1 OUTLIER -61.6 -26.28 67.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.998 0.428 . . . . 0.0 109.92 179.135 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.3 -31.69 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.293 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.778 HG22 ' HB2' ' D' ' 8' ' ' ASN . 8.3 m -64.21 -20.73 66.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.966 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.732 HD11 ' CD1' ' B' ' 76' ' ' PHE . 1.2 mp -109.77 -9.77 14.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.475 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.94 102.11 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -114.9 -35.07 4.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.709 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.37 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.975 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.79 22.48 6.44 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.0 23.01 13.21 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.97 -53.25 0.81 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.936 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.755 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 1.8 pt-20 -148.63 -175.99 5.15 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.68 0.24 . . . . 0.0 110.394 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.615 ' O ' HD12 ' B' ' 27' ' ' LEU . 1.5 m -118.59 121.83 41.14 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.731 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.489 ' HA ' HD12 ' B' ' 27' ' ' LEU . 30.1 p30 -93.8 -153.85 0.38 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.222 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.521 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 4.9 t80 -72.5 -34.91 67.97 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.693 0.283 . . . . 0.0 111.315 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.847 ' HA ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -74.19 -25.54 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.77 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.403 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 39.8 mm-40 -79.6 -39.86 30.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.235 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -77.94 -33.0 51.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.376 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.883 ' HE1' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -62.18 -42.81 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 0.0 109.984 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.0 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.032 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.732 ' CD1' HD11 ' B' ' 60' ' ' LEU . 25.3 t80 -66.92 -70.76 0.23 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.813 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.464 ' O ' ' HB ' ' B' ' 81' ' ' THR . 1.1 p -48.7 -29.58 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.621 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.96 -45.95 13.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.929 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.93 -55.31 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.431 0.634 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.715 HG22 ' CE2' ' D' ' 7' ' ' TRP . 79.4 t -56.73 -37.52 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.935 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' B' ' 77' ' ' VAL . 8.7 m -78.02 -65.18 1.01 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.443 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.86 HG23 ' HA ' ' A' ' 71' ' ' GLN . 33.9 m -44.17 -27.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.531 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' D' ' 5' ' ' ILE . . . -82.36 -66.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 -52.11 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.883 ' CE1' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -48.69 -21.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.084 0.469 . . . . 0.0 110.569 179.453 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.437 ' HG3' ' CE1' ' A' ' 25' ' ' HIS . 7.0 tt0 -53.9 -64.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.612 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.73 -15.95 11.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.74 -14.18 49.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -48.55 -29.02 3.79 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.778 0.323 . . . . 0.0 111.261 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -70.48 -48.14 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.903 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.762 0.315 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 -58.61 -71.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.462 HG22 ' O ' ' C' ' 3' ' ' THR . 51.0 m -98.59 -1.23 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.67 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.847 ' O ' HD12 ' C' ' 5' ' ' ILE . 2.2 tmtt? -85.95 -0.87 56.56 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.722 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 0.847 HD12 ' O ' ' C' ' 4' ' ' LYS . 2.2 pp 57.15 -14.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.354 1.061 . . . . 0.0 113.82 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' C' ' 4' ' ' LYS . 23.5 t0 69.09 -10.11 0.55 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 177.059 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.811 ' HE3' HG21 ' C' ' 10' ' ' ILE . 6.9 m0 -50.89 -70.35 0.09 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.989 0.813 . . . . 0.0 109.567 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.756 ' HB2' HG22 ' A' ' 59' ' ' THR . 1.3 m120 150.36 -93.43 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 177.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.737 ' H ' HG23 ' A' ' 59' ' ' THR . 1.8 tmmm? -97.29 -36.83 10.28 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.811 HG21 ' HE3' ' C' ' 7' ' ' TRP . 1.5 tp -52.76 -60.07 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 O-C-N 122.283 -0.26 . . . . 0.0 111.433 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.671 ' H ' HG23 ' C' ' 10' ' ' ILE . 11.2 mt -93.39 -29.27 15.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.202 0.525 . . . . 0.0 109.9 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 7.4 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.825 0.345 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -58.52 -71.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.048 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' THR . . . . . 0.466 HG22 ' O ' ' D' ' 3' ' ' THR . 51.2 m -98.59 -1.11 41.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.551 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 0.837 ' O ' HD12 ' D' ' 5' ' ' ILE . 2.2 tmtt? -86.1 -0.86 56.65 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.607 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 0.837 HD12 ' O ' ' D' ' 4' ' ' LYS . 2.2 pp 57.22 -14.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.325 1.05 . . . . 0.0 113.747 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' D' ' 4' ' ' LYS . 23.5 t0 69.15 -10.1 0.55 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 177.099 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.81 ' HE3' HG21 ' D' ' 10' ' ' ILE . 6.9 m0 -50.9 -70.28 0.09 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.085 0.857 . . . . 0.0 109.575 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.778 ' HB2' HG22 ' B' ' 59' ' ' THR . 1.3 m120 150.38 -93.57 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 177.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 9' ' ' LYS . . . . . 0.725 ' H ' HG23 ' B' ' 59' ' ' THR . 1.8 tmmm? -97.23 -36.79 10.32 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.81 HG21 ' HE3' ' D' ' 7' ' ' TRP . 1.6 tp -52.74 -60.08 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 122.405 -0.184 . . . . 0.0 111.467 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.687 ' H ' HG23 ' D' ' 10' ' ' ILE . 11.2 mt -93.38 -29.32 15.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.195 0.521 . . . . 0.0 109.894 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 7.2 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.802 0.334 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.814 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.6 OUTLIER -61.97 -35.93 79.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.194 0.521 . . . . 0.0 110.847 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.701 HD13 ' HA ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -47.33 -44.47 23.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.567 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -80.71 -39.58 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.923 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 3.1 mppt? -59.74 -49.14 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.811 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' B' ' 6' ' ' ALA . . . -64.96 -47.85 76.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -56.49 -49.81 73.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 11' ' ' ILE . 24.7 t -78.78 -21.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.595 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.784 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -63.29 -39.13 93.72 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.467 0.651 . . . . 0.0 109.276 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB3' ' HE1' ' A' ' 73' ' ' PHE . 5.4 mt -68.98 -48.49 62.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.746 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 8' ' ' VAL . 18.1 mt -63.88 -40.15 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -38.17 67.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 9' ' ' ALA . 24.2 t -63.64 -55.96 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.74 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -72.65 -28.68 62.88 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.323 -179.393 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.495 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.4 t-80 -70.69 -20.72 62.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 111.204 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -41.56 16.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.626 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.692 ' CD1' HD11 ' A' ' 35' ' ' LEU . 1.8 m-85 -83.19 -56.99 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.38 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.649 ' HB3' HD11 ' A' ' 27' ' ' LEU . 18.4 p -49.6 -44.02 46.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.376 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.09 -28.95 4.44 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.143 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -59.29 -54.84 42.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.82 0.343 . . . . 0.0 110.989 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -57.44 171.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.77 -21.47 71.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.591 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.97 -41.89 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt 58.64 67.82 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.637 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.447 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 2.3 t-160 -179.88 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.038 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.954 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -111.32 159.6 17.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.259 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.954 HD13 ' O ' ' A' ' 26' ' ' LYS . 1.3 mm? -134.97 133.9 39.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.833 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.36 174.36 9.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.439 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -52.0 -27.87 14.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -82.96 -36.65 24.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.747 ' O ' HD22 ' A' ' 35' ' ' LEU . 36.3 mm-40 -72.6 -64.13 1.02 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.749 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.579 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.9 tm? -48.26 -46.9 36.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.671 ' CE ' HG12 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -55.74 -38.8 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.936 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 3.1 mm-40 -62.7 -58.92 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.417 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.747 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.2 mm? -46.24 -35.52 5.3 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.022 0.439 . . . . 0.0 111.479 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.86 HG23 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -56.75 -63.72 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -71.22 -11.02 60.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.535 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 22.5 t30 -91.97 -18.95 22.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.501 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -147.64 50.01 1.07 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.407 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.86 HD12 HG23 ' A' ' 36' ' ' ILE . 72.6 mt -154.26 87.45 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 110.844 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.6 m 55.51 25.44 7.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 55.19 30.3 14.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -173.97 -170.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.423 HD23 ' H ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -72.13 90.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.12 -60.73 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' HB2' HD13 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -85.02 2.54 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.35 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.874 ' CG2' HG22 ' A' ' 53' ' ' VAL . 12.2 pt -123.58 88.75 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.557 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.636 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -60.87 -14.29 21.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.522 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 53' ' ' VAL . 4.1 tt0 -166.94 173.01 9.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.913 0.387 . . . . 0.0 110.755 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -73.67 -36.16 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.94 90.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.391 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.899 ' O ' HG23 ' A' ' 56' ' ' VAL . 34.4 m -63.22 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.349 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.874 HG22 ' CG2' ' A' ' 47' ' ' ILE . 2.6 t -54.1 -56.73 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 120.693 0.282 . . . . 0.0 111.004 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.08 -40.0 44.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.025 0.44 . . . . 0.0 110.045 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HB3' ' CG1' ' C' ' 10' ' ' ILE . 1.6 ttmm -73.84 -30.6 62.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.724 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 52' ' ' VAL . 93.3 t -65.0 -59.12 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.986 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -60.96 -28.41 68.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.022 0.439 . . . . 0.0 109.935 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.91 -31.71 51.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.366 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.812 HG23 ' H ' ' C' ' 9' ' ' LYS . 35.0 m -76.67 -16.58 59.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.709 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.024 HD11 ' CD1' ' A' ' 76' ' ' PHE . 12.4 mt -101.06 -9.61 21.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.353 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -38.83 99.28 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.0 0.429 . . . . 0.0 111.695 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 0.2 OUTLIER -72.95 -8.64 56.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.275 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER 80.18 30.01 0.24 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.913 0.387 . . . . 0.0 110.531 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.24 -36.65 8.74 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.441 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -173.24 37.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.4 18.13 42.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.656 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.63 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -139.63 -174.47 3.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 27' ' ' LEU . 34.8 m -109.43 118.58 37.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.717 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -101.17 -167.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.63 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.646 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -73.1 -12.61 60.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 111.212 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -82.48 -30.31 29.99 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.621 ' OE1' HD13 ' A' ' 60' ' ' LEU . 2.7 pp20? -82.09 -35.66 28.4 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.646 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.63 -27.63 40.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.622 0.249 . . . . 0.0 110.918 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 34.4 mmm -69.38 -54.42 14.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.876 0.369 . . . . 0.0 110.119 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -64.03 -24.5 67.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.39 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 1.024 ' CD1' HD11 ' A' ' 60' ' ' LEU . 85.8 t80 -62.1 -74.9 0.08 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.158 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 81' ' ' THR . 4.0 m -44.78 -30.5 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.649 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.53 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.02 -34.3 22.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.102 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.707 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -82.78 -40.98 19.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 111.331 -179.355 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.811 HG21 ' CE1' ' A' ' 76' ' ' PHE . 60.1 t -70.32 -36.72 68.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 5.7 t -73.24 -47.49 42.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 78' ' ' ALA . 6.3 p -53.18 -30.06 35.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.576 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' C' ' 5' ' ' ILE . . . -75.89 -69.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.662 ' HB2' HG22 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -87.0 -55.1 3.98 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.692 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.465 ' HA ' ' CA ' ' A' ' 89' ' ' GLU . 3.2 t-160 -44.65 -27.45 0.49 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.159 0.504 . . . . 0.0 110.751 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 82' ' ' THR . 33.5 tp10 -45.08 -65.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.817 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.68 -27.15 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -83.96 -15.5 47.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.465 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 6.4 tt0 60.46 171.64 0.09 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.69 0.281 . . . . 0.0 110.703 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -36.55 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.841 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.789 0.328 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.784 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -62.07 -35.94 80.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.216 0.531 . . . . 0.0 110.776 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.718 HD13 ' HA ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -47.36 -44.52 24.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.576 -179.701 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.425 ' O ' HG23 ' B' ' 8' ' ' VAL . 0.7 OUTLIER -80.57 -39.58 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.959 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 3.1 mppt? -59.79 -49.11 78.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.408 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . . . -64.93 -47.94 75.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -56.5 -49.77 73.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.075 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.547 ' HA ' HD12 ' B' ' 11' ' ' ILE . 24.8 t -78.83 -21.97 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.536 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -63.28 -39.07 93.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.527 0.68 . . . . 0.0 109.357 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.435 ' HB3' ' HE1' ' B' ' 73' ' ' PHE . 5.4 mt -69.01 -48.58 62.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.708 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' B' ' 8' ' ' VAL . 18.1 mt -63.86 -40.06 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.82 -38.11 66.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 9' ' ' ALA . 24.3 t -63.71 -55.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.787 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.617 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -72.53 -28.75 63.04 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.35 -179.486 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.498 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 6.4 t-80 -70.58 -20.84 62.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.222 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.45 -41.45 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.608 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.695 ' CD1' HD11 ' B' ' 35' ' ' LEU . 1.8 m-85 -83.15 -57.1 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.328 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.637 ' HB3' HD11 ' B' ' 27' ' ' LEU . 18.8 p -49.59 -44.0 46.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.324 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.09 -28.96 4.43 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.069 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -59.33 -54.77 43.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.996 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -57.59 171.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.73 -21.45 71.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.625 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.98 -41.86 15.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.73 0.3 . . . . 0.0 111.064 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt 58.53 67.88 0.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.667 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.424 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 2.3 t-160 -179.92 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.009 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.938 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -111.29 159.59 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 -179.606 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.938 HD13 ' O ' ' B' ' 26' ' ' LYS . 1.3 mm? -134.89 133.93 40.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.001 0.429 . . . . 0.0 110.783 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.38 174.26 9.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.434 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -51.9 -27.8 14.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -83.02 -36.74 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.68 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.739 ' O ' HD22 ' B' ' 35' ' ' LEU . 36.5 mm-40 -72.56 -64.17 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.706 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.574 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.8 tm? -48.18 -46.92 35.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.185 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.667 ' CE ' HG12 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -55.73 -38.75 70.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.989 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.466 ' CB ' ' CE2' ' B' ' 17' ' ' TYR . 3.1 mm-40 -62.64 -58.99 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.358 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.739 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.2 mm? -46.28 -35.53 5.38 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 120.955 0.407 . . . . 0.0 111.463 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.845 HG23 HD12 ' B' ' 40' ' ' LEU . 1.0 OUTLIER -56.7 -63.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.942 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.16 -11.02 60.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.525 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.477 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 22.4 t30 -92.01 -18.92 22.96 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.263 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.518 ' O ' HD23 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -147.75 50.04 1.06 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.358 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.845 HD12 HG23 ' B' ' 36' ' ' ILE . 72.4 mt -154.24 87.4 1.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 110.925 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m 55.61 25.39 8.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 55.22 30.31 14.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -170.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.012 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.413 HD23 ' H ' ' B' ' 44' ' ' LEU . 0.2 OUTLIER -72.19 90.56 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.14 -60.73 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.571 ' HB2' HD13 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -84.98 2.5 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.411 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.872 ' CG2' HG22 ' B' ' 53' ' ' VAL . 12.1 pt -123.56 88.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.542 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.637 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -60.89 -14.31 21.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.52 -179.66 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.699 ' O ' HG23 ' B' ' 53' ' ' VAL . 4.1 tt0 -166.91 173.0 9.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.814 0.34 . . . . 0.0 110.789 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -73.61 -36.19 65.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.91 90.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.383 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 56' ' ' VAL . 34.3 m -63.25 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.384 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.872 HG22 ' CG2' ' B' ' 47' ' ' ILE . 2.6 t -54.13 -56.67 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-O 120.655 0.264 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.03 -40.14 43.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 110.065 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.406 ' HB3' ' CG1' ' D' ' 10' ' ' ILE . 1.6 ttmm -73.74 -30.56 62.88 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.797 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.921 HG23 ' O ' ' B' ' 52' ' ' VAL . 93.6 t -65.02 -59.12 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.998 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -61.09 -28.24 68.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.0 0.428 . . . . 0.0 109.942 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.96 -31.75 51.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.333 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.811 HG23 ' H ' ' D' ' 9' ' ' LYS . 36.2 m -76.62 -16.55 59.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.732 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 1.017 HD11 ' CD1' ' B' ' 76' ' ' PHE . 12.2 mt -101.1 -9.7 21.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.304 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -38.73 99.21 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.981 0.419 . . . . 0.0 111.706 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' B' ' 63' ' ' ASP . 0.2 OUTLIER -72.82 -8.7 56.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.338 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' B' ' 62' ' ' ASN . 0.8 OUTLIER 80.07 30.17 0.25 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.986 0.422 . . . . 0.0 110.541 -179.56 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.36 -36.61 8.69 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.335 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -173.18 37.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.51 18.14 43.09 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.636 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.7 OUTLIER -139.68 -174.52 3.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' B' ' 27' ' ' LEU . 34.8 m -109.52 118.49 36.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.697 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -101.1 -167.75 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.59 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.647 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -73.13 -12.54 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 111.236 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -82.52 -30.39 29.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.929 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.633 ' OE1' HD13 ' B' ' 60' ' ' LEU . 2.7 pp20? -82.09 -35.59 28.45 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.647 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -79.61 -27.58 41.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.638 0.256 . . . . 0.0 110.994 -179.339 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.511 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 34.4 mmm -69.37 -54.47 14.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.877 0.37 . . . . 0.0 110.078 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -64.11 -24.41 67.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.382 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 1.017 ' CD1' HD11 ' B' ' 60' ' ' LEU . 85.8 t80 -62.23 -74.86 0.08 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.109 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.439 ' O ' ' CG2' ' B' ' 81' ' ' THR . 4.0 m -44.79 -30.51 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.539 ' O ' HG23 ' B' ' 82' ' ' THR . . . -84.94 -34.4 22.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.077 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.707 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 0.7 OUTLIER -82.71 -41.02 19.81 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.023 0.44 . . . . 0.0 111.289 -179.254 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.807 HG21 ' CE1' ' B' ' 76' ' ' PHE . 60.0 t -70.35 -36.73 68.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 77' ' ' VAL . 5.7 t -73.21 -47.41 43.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.799 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.539 HG23 ' O ' ' B' ' 78' ' ' ALA . 6.3 p -53.29 -29.94 36.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.573 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.443 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -75.97 -69.64 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.643 ' HB2' HG22 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -87.04 -54.96 4.04 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.652 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.466 ' HA ' ' CA ' ' B' ' 89' ' ' GLU . 3.2 t-160 -44.7 -27.49 0.5 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.081 0.467 . . . . 0.0 110.683 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 82' ' ' THR . 33.5 tp10 -45.08 -65.35 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.774 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.66 -27.15 6.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -83.92 -15.58 47.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.037 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.466 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 6.4 tt0 60.47 171.64 0.09 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 120.714 0.292 . . . . 0.0 110.704 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -36.57 22.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.926 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' THR . . . . . 0.88 HG22 ' HB2' ' C' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.302 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -94.03 -71.78 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.721 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.58 ' O ' HD13 ' C' ' 5' ' ' ILE . 11.0 t -99.6 -9.51 23.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.52 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.689 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.8 OUTLIER -81.34 -2.03 47.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.73 0.3 . . . . 0.0 111.029 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 0.766 HD11 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER 49.8 6.77 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 123.347 0.659 . . . . 0.0 112.591 -179.085 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.88 ' HB2' HG22 ' C' ' 1' ' ' THR . 23.6 t0 48.22 43.31 18.71 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.721 ' NE1' HG13 ' A' ' 80' ' ' VAL . 11.6 m95 -83.21 -69.79 0.61 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.178 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' C' ' 12' ' ' SER . 0.7 OUTLIER 154.79 -89.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.123 178.777 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.812 ' H ' HG23 ' A' ' 59' ' ' THR . 3.5 tmtm? -97.27 -49.37 4.97 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 -179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.865 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.26 -48.53 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -177.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.865 HD23 HG23 ' C' ' 10' ' ' ILE . 3.1 mm? -92.41 -32.97 14.73 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 11.4 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.194 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 1' ' ' THR . . . . . 0.914 HG22 ' HB2' ' D' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.757 0.313 . . . . 0.0 111.302 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -94.04 -71.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.711 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' THR . . . . . 0.582 ' O ' HD13 ' D' ' 5' ' ' ILE . 11.0 t -99.62 -9.57 23.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.585 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 0.703 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.8 OUTLIER -81.43 -2.0 47.85 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.009 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 0.768 HD11 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER 49.85 6.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 123.209 0.604 . . . . 0.0 112.618 -179.143 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.914 ' HB2' HG22 ' D' ' 1' ' ' THR . 23.5 t0 48.15 43.28 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.732 ' NE1' HG13 ' B' ' 80' ' ' VAL . 11.6 m95 -83.16 -69.78 0.61 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.239 177.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.487 ' O ' ' HA ' ' D' ' 12' ' ' SER . 0.7 OUTLIER 154.8 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.06 178.725 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 9' ' ' LYS . . . . . 0.811 ' H ' HG23 ' B' ' 59' ' ' THR . 3.5 tmtm? -97.33 -49.25 5.0 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.863 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.24 -48.6 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.033 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.863 HD23 HG23 ' D' ' 10' ' ' ILE . 3.1 mm? -92.42 -32.92 14.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 11.2 p . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.285 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.922 0.392 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.71 -24.23 63.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.819 HD13 HD21 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -59.97 -43.69 94.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.566 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -73.45 -33.59 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.73 -55.89 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -59.26 -41.38 88.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.403 ' CE ' HG12 ' B' ' 77' ' ' VAL . 5.1 mtm -58.49 -53.18 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.817 ' HA ' HG13 ' A' ' 11' ' ' ILE . 24.6 t -72.35 -26.3 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.224 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.53 -37.89 89.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.209 0.528 . . . . 0.0 109.835 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 4.8 mt -66.63 -41.82 87.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.67 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.945 HG23 ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -70.94 -40.22 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.407 179.47 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.59 -37.81 13.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.123 0.487 . . . . 0.0 110.026 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 9' ' ' ALA . 2.6 t -75.32 -44.97 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.113 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -67.15 -26.98 66.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.878 0.371 . . . . 0.0 110.584 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -81.74 -22.33 37.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -78.43 -40.96 34.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.021 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 3.0 m-85 -82.92 -59.61 2.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.881 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB2' HD13 ' A' ' 27' ' ' LEU . 17.8 t -70.5 119.46 14.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.09 -55.91 0.43 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.586 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -57.43 -28.4 63.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -60.64 -48.5 81.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.23 -66.36 0.46 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.659 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.52 -37.49 75.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt 62.77 161.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 1.9 t-80 63.57 52.12 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.623 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -176.39 157.29 1.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.335 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 26' ' ' LYS . 2.7 mm? -134.58 136.66 43.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.617 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -117.02 -175.57 2.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.503 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HA ' ' HG3' ' A' ' 33' ' ' LYS . 2.4 mttp -58.1 -29.99 65.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -54.3 7.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.32 -60.5 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.366 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.5 tm? -44.35 -67.45 0.28 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.88 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HG3' ' HA ' ' A' ' 29' ' ' LYS . 72.7 mttt -51.61 -57.48 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 111.512 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.09 -35.17 59.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.751 0.31 . . . . 0.0 110.486 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.683 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.8 tt -62.18 -40.22 95.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.126 0.488 . . . . 0.0 110.26 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.779 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.1 mt -52.41 -67.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.006 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -58.09 -18.68 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.444 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -81.06 -41.58 22.37 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.89 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -139.57 51.05 1.75 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 36' ' ' ILE . 85.2 mt -156.15 102.54 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.08 -69.26 0.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.944 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.22 -67.07 0.31 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.766 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.55 116.05 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.201 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt 61.24 55.33 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.004 0.43 . . . . 0.0 110.297 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -45.79 -54.15 8.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.504 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.612 ' O ' ' O ' ' A' ' 47' ' ' ILE . 5.1 mt-10 -149.65 51.43 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.174 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.824 ' CG2' HG22 ' A' ' 53' ' ' VAL . 0.3 OUTLIER 43.11 120.82 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.211 0.529 . . . . 0.0 112.196 179.421 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.869 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -49.08 -29.34 5.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.668 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.682 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.4 tp10 179.77 174.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.542 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.51 -24.74 63.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.917 0.389 . . . . 0.0 110.693 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.75 -40.61 40.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.33 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.869 HG11 ' HB2' ' A' ' 48' ' ' LYS . 2.7 m -63.0 -43.8 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.074 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.824 HG22 ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -58.93 -52.48 60.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.029 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -47.66 -37.19 12.31 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.106 0.479 . . . . 0.0 109.965 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.494 ' HB3' HG12 ' C' ' 10' ' ' ILE . 0.8 OUTLIER -79.61 -37.49 36.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.089 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.5 t -54.2 -54.94 17.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.651 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -36.49 70.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -36.55 81.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.103 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.459 HG23 ' H ' ' C' ' 9' ' ' LYS . 0.2 OUTLIER -63.05 -23.99 67.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.278 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.613 HD11 ' CD1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -89.31 -29.83 18.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.776 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.51 100.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.348 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.45 -39.44 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.37 42.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.441 ' CA ' ' HE2' ' A' ' 26' ' ' LYS . . . -101.35 5.44 55.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.663 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t0 71.87 24.12 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.51 -33.8 4.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.779 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.516 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -105.59 -177.12 3.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.919 0.39 . . . . 0.0 110.55 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.582 ' HA ' ' HG3' ' A' ' 72' ' ' GLU . 14.2 m -114.78 112.84 23.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.604 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.475 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -100.63 -173.57 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.363 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.945 ' CD1' HG23 ' A' ' 11' ' ' ILE . 55.0 t80 -52.81 -32.09 42.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.126 0.489 . . . . 0.0 111.446 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.7 -38.93 76.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.582 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 2.8 mm-40 -75.58 -27.0 58.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.534 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.857 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -51.26 -53.72 32.85 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.18 0.514 . . . . 0.0 109.794 179.042 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.533 ' HG3' HG21 ' B' ' 81' ' ' THR . 18.5 mmt -61.67 -52.86 62.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.057 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.84 -38.97 52.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.118 0.485 . . . . 0.0 110.701 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.613 ' CD1' HD11 ' A' ' 60' ' ' LEU . 52.8 t80 -66.57 -72.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.736 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 73' ' ' PHE . 1.1 m -52.44 -26.25 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.439 ' HA ' ' HB3' ' B' ' 74' ' ' MET . . . -81.39 -51.65 8.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.912 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.4 mtm -65.35 -46.32 80.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.156 0.503 . . . . 0.0 110.18 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.818 HG22 ' CE2' ' C' ' 7' ' ' TRP . 59.9 t -60.81 -35.07 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.561 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 85' ' ' HIS . 1.6 m -71.57 -57.7 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.086 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.0 p -48.05 -25.98 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -81.75 -72.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.555 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.712 ' HB3' HG22 ' C' ' 5' ' ' ILE . 7.8 p -88.85 -51.92 5.38 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.65 ' HB3' HG23 ' A' ' 81' ' ' THR . 3.6 t60 -53.31 -18.0 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.824 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.73 -64.37 0.71 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.36 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -28.46 4.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 90' ' ' HIS . 51.2 m-85 -77.03 -20.13 56.31 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.488 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.47 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 20.1 tt0 67.65 -66.77 0.2 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.688 0.28 . . . . 0.0 111.025 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' PHE . 49.2 m80 -142.33 -51.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.006 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.826 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.846 0.355 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.0 -24.18 64.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.724 HD13 HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -59.88 -43.79 94.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.567 ' O ' HG23 ' B' ' 8' ' ' VAL . 0.4 OUTLIER -73.37 -33.61 65.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -55.76 11.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -59.35 -41.46 89.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtm -58.38 -53.17 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.798 ' HA ' HG13 ' B' ' 11' ' ' ILE . 24.8 t -72.45 -26.24 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.548 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.51 -37.96 89.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.205 0.526 . . . . 0.0 109.847 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.444 ' O ' ' CE2' ' B' ' 73' ' ' PHE . 4.8 mt -66.69 -41.66 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.69 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.96 HG23 ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -70.93 -40.25 76.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.442 179.386 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.68 -37.77 13.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.12 0.486 . . . . 0.0 109.949 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.553 ' CG1' HD21 ' B' ' 35' ' ' LEU . 2.6 t -75.33 -45.0 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.037 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -67.11 -27.0 66.97 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.886 0.374 . . . . 0.0 110.626 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -81.76 -22.25 37.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.053 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -78.43 -40.87 34.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.005 0.431 . . . . 0.0 110.056 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' B' ' 35' ' ' LEU . 3.0 m-85 -82.9 -59.65 2.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.937 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.457 ' HB2' HD13 ' B' ' 27' ' ' LEU . 18.0 t -70.5 119.46 14.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.12 -55.97 0.43 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.605 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -57.39 -28.36 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -60.63 -48.51 81.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.29 -66.46 0.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.551 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -37.51 75.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 111.058 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt 62.87 161.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.46 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 1.9 t-80 63.52 52.13 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.468 . . . . 0.0 110.973 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.618 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -176.32 157.26 1.7 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.343 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.618 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.7 mm? -134.55 136.6 43.14 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.623 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.7 OUTLIER -116.95 -175.47 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.503 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' HA ' ' HG3' ' B' ' 33' ' ' LYS . 2.4 mttp -58.15 -29.92 65.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -54.37 7.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.29 -60.47 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.385 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.491 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.5 tm? -44.35 -67.49 0.28 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.865 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' B' ' 29' ' ' LYS . 72.7 mttt -51.63 -57.39 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.508 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.18 -35.1 59.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 110.525 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.674 ' O ' HD23 ' B' ' 35' ' ' LEU . 1.7 tt -62.21 -40.22 95.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.142 0.496 . . . . 0.0 110.287 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.8 ' HA ' HD12 ' B' ' 40' ' ' LEU . 3.1 mt -52.38 -67.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.974 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -57.99 -18.76 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.461 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -81.02 -41.62 22.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.89 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -139.53 50.98 1.76 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.819 HD21 HD13 ' A' ' 3' ' ' LEU . 83.6 mt -156.09 102.64 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.14 -69.29 0.79 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.09 -67.26 0.29 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.741 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.39 116.03 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.228 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt 61.23 55.3 3.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.1 0.476 . . . . 0.0 110.279 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -45.76 -54.21 8.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.49 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.597 ' O ' ' O ' ' B' ' 47' ' ' ILE . 5.1 mt-10 -149.69 51.43 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.26 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.829 ' CG2' HG22 ' B' ' 53' ' ' VAL . 0.3 OUTLIER 43.27 120.81 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 121.224 0.535 . . . . 0.0 112.125 179.313 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.844 ' HB2' HG11 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -49.14 -29.29 5.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.672 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.688 ' O ' HG23 ' B' ' 53' ' ' VAL . 2.4 tp10 179.71 174.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.549 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.44 -24.78 63.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.915 0.388 . . . . 0.0 110.634 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.74 -40.65 40.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.304 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.844 HG11 ' HB2' ' B' ' 48' ' ' LYS . 2.7 m -63.04 -43.82 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.975 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.829 HG22 ' CG2' ' B' ' 47' ' ' ILE . 0.6 OUTLIER -58.89 -52.43 60.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.065 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -47.74 -37.11 12.62 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.101 0.477 . . . . 0.0 109.959 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.492 ' HB3' HG12 ' D' ' 10' ' ' ILE . 0.8 OUTLIER -79.63 -37.48 35.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.003 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.766 HG23 ' O ' ' B' ' 52' ' ' VAL . 53.6 t -54.22 -54.92 17.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.679 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -36.56 70.8 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.45 81.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.157 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.466 HG23 ' H ' ' D' ' 9' ' ' LYS . 0.2 OUTLIER -63.2 -23.93 67.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.251 179.375 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' B' ' 76' ' ' PHE . 0.4 OUTLIER -89.34 -29.87 18.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.773 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.55 100.95 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.295 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.45 -39.45 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.528 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.34 42.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.488 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.44 ' CA ' ' HE2' ' B' ' 26' ' ' LYS . . . -101.29 5.46 55.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.684 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t0 71.91 24.09 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.53 -33.79 4.18 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.848 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.517 ' HB3' ' CG ' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -105.54 -177.11 3.27 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.85 0.357 . . . . 0.0 110.623 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.558 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 14.0 m -114.8 112.83 23.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.466 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -100.65 -173.6 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.96 ' CD1' HG23 ' B' ' 11' ' ' ILE . 56.6 t80 -52.82 -31.92 41.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.971 0.415 . . . . 0.0 111.496 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.82 -38.98 76.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.558 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 2.8 mm-40 -75.45 -27.12 58.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.538 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.863 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -51.33 -53.78 32.74 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.094 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.567 ' HG3' HG21 ' A' ' 81' ' ' THR . 18.6 mmt -61.59 -52.9 62.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.022 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.88 -38.93 52.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.042 0.448 . . . . 0.0 110.681 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.602 ' CD1' HD11 ' B' ' 60' ' ' LEU . 52.7 t80 -66.52 -72.82 0.15 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.761 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.863 HG22 ' O ' ' B' ' 73' ' ' PHE . 1.1 m -52.45 -26.22 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.259 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 74' ' ' MET . . . -81.34 -51.74 8.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.929 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 47.6 mtm -65.27 -46.37 80.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.148 0.499 . . . . 0.0 110.227 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.818 HG22 ' CE2' ' D' ' 7' ' ' TRP . 58.7 t -60.77 -34.97 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.544 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.662 HG23 ' HB3' ' B' ' 85' ' ' HIS . 1.5 m -71.49 -58.02 3.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.4 p -47.92 -25.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -81.91 -72.21 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.524 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.707 ' HB3' HG22 ' D' ' 5' ' ' ILE . 7.8 p -88.86 -52.03 5.32 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.662 ' HB3' HG23 ' B' ' 81' ' ' THR . 3.7 t60 -53.25 -17.98 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.852 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.58 -64.36 0.71 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.404 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.87 -28.38 4.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.137 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' B' ' 90' ' ' HIS . 50.7 m-85 -76.96 -20.19 56.42 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.376 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.469 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 19.9 tt0 67.62 -66.8 0.2 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 111.105 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' B' ' 88' ' ' PHE . 49.1 m80 -142.41 -50.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.801 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.623 0.249 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 9.0 mpt_? -49.55 -71.83 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.924 0.392 . . . . 0.0 110.531 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.18 1.3 44.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 1.012 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -78.92 -2.33 39.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.045 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 1.012 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 35.15 35.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-O 121.137 0.494 . . . . 0.0 111.333 -179.65 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -54.4 83.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.694 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.835 ' CD2' HD23 ' C' ' 11' ' ' LEU . 46.1 m0 -73.73 -62.16 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.259 0.552 . . . . 0.0 109.727 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.489 ' O ' ' HA ' ' C' ' 12' ' ' SER . 25.2 t-20 -178.64 -84.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.395 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.459 ' H ' HG23 ' A' ' 59' ' ' THR . 2.1 tmtm? -97.6 -50.68 4.4 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 1.027 HG23 HD22 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.78 -59.84 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.054 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 1.027 HD22 HG23 ' C' ' 10' ' ' ILE . 1.2 mm? -88.12 -11.85 45.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.07 -0.394 . . . . 0.0 110.5 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 39.8 t . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.193 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.576 0.227 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 9.0 mpt_? -49.69 -71.73 0.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.863 0.363 . . . . 0.0 110.538 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.22 1.41 44.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 1.003 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -79.04 -2.36 40.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.951 179.734 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 1.003 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 35.15 35.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.182 0.515 . . . . 0.0 111.369 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -54.46 83.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.718 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.841 ' CD2' HD23 ' D' ' 11' ' ' LEU . 46.0 m0 -73.69 -62.23 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.263 0.554 . . . . 0.0 109.757 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.485 ' O ' ' HA ' ' D' ' 12' ' ' SER . 25.3 t-20 -178.47 -84.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.416 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 9' ' ' LYS . . . . . 0.466 ' H ' HG23 ' B' ' 59' ' ' THR . 2.1 tmtm? -97.58 -50.71 4.39 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.997 HG23 HD22 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.79 -59.81 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.005 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.997 HD22 HG23 ' D' ' 10' ' ' ILE . 1.2 mm? -88.06 -11.86 45.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.072 -0.393 . . . . 0.0 110.576 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 40.1 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.037 -0.982 . . . . 0.0 111.277 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.756 0.313 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.488 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 5.5 pt-20 -55.4 -37.35 67.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.114 0.483 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.705 HD22 HD21 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -46.48 -41.49 14.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.318 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 8' ' ' VAL . 3.7 pt-20 -84.13 -28.74 27.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.027 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 8.7 mtpt -71.52 -43.94 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -48.46 73.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.565 ' SD ' HG13 ' B' ' 77' ' ' VAL . 7.7 mtm -59.32 -46.63 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 4' ' ' GLU . 24.8 t -78.12 -25.12 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.675 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -64.0 -38.37 90.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.482 0.658 . . . . 0.0 109.369 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.64 -66.5 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.027 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.565 ' CG2' ' HA ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -42.43 -38.57 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.048 179.642 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -53.6 -49.28 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.548 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG12 ' HG ' ' A' ' 35' ' ' LEU . 36.8 t -57.26 -41.27 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.517 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.698 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -77.79 -29.54 50.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.448 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.3 t60 -83.6 -15.87 47.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.105 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -48.74 14.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.841 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.4 m-85 -83.86 -55.02 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.677 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.26 117.36 3.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.71 -51.36 0.79 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -31.41 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -148.41 99.69 3.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.78 -162.66 25.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.548 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -77.7 -7.72 56.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.562 0.22 . . . . 0.0 111.359 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt 70.53 59.82 0.22 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.903 0.382 . . . . 0.0 110.776 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -178.18 -28.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 179.831 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.698 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.32 160.56 16.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.83 0.348 . . . . 0.0 110.113 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 68' ' ' CYS . 3.1 mm? -122.44 138.05 54.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.149 0.5 . . . . 0.0 110.103 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -113.63 -177.6 3.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.436 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HB3' ' CE ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -51.05 -41.27 59.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.908 179.763 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.2 p -63.97 -55.59 21.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.461 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.803 ' O ' HD22 ' A' ' 35' ' ' LEU . 5.1 mt-10 -68.55 -68.0 0.43 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.734 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -41.35 -69.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.921 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.671 ' HG2' HG11 ' A' ' 53' ' ' VAL . 95.0 mttt -42.89 -43.68 4.19 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 111.458 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -53.05 -54.67 32.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.713 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.841 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.5 mm? -51.68 -35.36 42.24 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.936 0.398 . . . . 0.0 111.714 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.792 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -58.92 -47.73 88.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.013 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -88.1 -8.6 55.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.489 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 35.4 t30 -92.62 -25.07 18.46 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.7 pt-20 -151.04 53.21 0.86 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 36' ' ' ILE . 96.3 mt -158.54 116.77 2.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.932 0.396 . . . . 0.0 110.854 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.0 p -145.68 92.47 2.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.008 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 17.2 p80 -174.31 -49.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.37 84.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.576 HD11 ' CB ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -177.68 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.655 -179.681 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.48 58.63 4.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.577 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.64 ' O ' HG22 ' A' ' 47' ' ' ILE . 23.2 tt0 63.88 46.04 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.226 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.715 ' HB ' HD12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER 52.56 153.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.621 -179.601 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.761 ' HB2' HG11 ' A' ' 52' ' ' VAL . 1.6 mtmm -47.72 -27.84 2.17 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.5 OUTLIER 168.76 178.51 0.03 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.519 0.676 . . . . 0.0 111.865 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG2' ' HD3' ' A' ' 33' ' ' LYS . 4.0 mt-30 -74.14 -22.4 59.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.142 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -81.21 -38.27 27.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.546 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.948 ' O ' HG23 ' A' ' 56' ' ' VAL . 20.6 m -63.01 -42.22 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.461 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.671 HG11 ' HG2' ' A' ' 33' ' ' LYS . 95.7 t -64.3 -47.05 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.342 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -54.31 -38.2 65.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 59' ' ' THR . 16.9 ttmt -78.98 -32.13 45.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.294 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 52' ' ' VAL . 43.1 t -56.64 -53.26 43.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.166 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -30.95 71.98 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -68.41 -32.69 72.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.478 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.582 HG22 ' HB3' ' C' ' 8' ' ' ASN . 1.2 m -61.19 -26.0 67.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.487 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD13 ' HB2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -113.38 -9.73 13.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.741 -179.324 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' HB2' ' HA ' ' A' ' 58' ' ' GLU . 42.4 t0 -42.51 93.31 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.8 0.333 . . . . 0.0 111.603 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.5 m-20 -99.3 -46.96 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -160.08 28.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.34 8.79 58.97 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.628 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 61.54 25.92 15.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.52 -6.34 45.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.019 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.06 175.38 5.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.643 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.703 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -115.37 85.11 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.448 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.698 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 2.0 p-10 -81.2 -165.43 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 73' ' ' PHE . 8.2 t80 -70.57 -15.18 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.774 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.667 ' HA ' HG23 ' B' ' 82' ' ' THR . 7.8 pt20 -76.07 -37.74 57.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.183 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -25.67 35.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.472 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.698 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -54.97 -62.28 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.409 178.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.458 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 22.6 mmm -61.29 -50.84 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.387 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' HE2' ' A' ' 79' ' ' MET . . . -58.61 -20.03 43.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.975 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.728 ' HB2' HD13 ' A' ' 60' ' ' LEU . 14.4 t80 -85.32 -75.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.592 HG13 ' SD ' ' B' ' 7' ' ' MET . 21.7 t -52.22 -23.5 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.485 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 74' ' ' MET . . . -85.26 -47.93 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.454 ' CE ' HD23 ' A' ' 60' ' ' LEU . 23.5 mtm -68.47 -50.54 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.435 0.636 . . . . 0.0 110.155 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.835 HG13 ' NE1' ' C' ' 7' ' ' TRP . 59.4 t -58.92 -40.62 80.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.013 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.711 HG23 ' HB3' ' A' ' 85' ' ' HIS . 4.1 m -71.23 -57.18 4.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.477 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' HA ' ' B' ' 71' ' ' GLN . 58.9 m -48.36 -23.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB2' ' CB ' ' C' ' 6' ' ' ASP . . . -82.24 -71.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.802 0.334 . . . . 0.0 111.871 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.0 p -87.44 -51.74 5.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 0.0 112.132 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.711 ' HB3' HG23 ' A' ' 81' ' ' THR . 2.3 t60 -48.3 -24.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.587 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.26 -64.36 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.359 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.51 -28.06 5.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -79.99 -17.57 52.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.702 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.429 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 35.7 mm-40 54.65 23.73 4.96 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 120.696 0.284 . . . . 0.0 111.192 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 77.18 -55.86 0.54 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.848 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 43.7 p . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.679 0.276 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.516 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 5.6 pt-20 -55.45 -37.3 67.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.174 0.511 . . . . 0.0 111.057 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.68 HD22 HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -46.51 -41.51 14.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.377 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.637 ' O ' HG23 ' B' ' 8' ' ' VAL . 3.7 pt-20 -84.16 -28.64 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 8.8 mtpt -71.63 -43.86 65.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.025 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.45 73.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.206 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.592 ' SD ' HG13 ' A' ' 77' ' ' VAL . 7.6 mtm -59.3 -46.63 88.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 4' ' ' GLU . 25.3 t -78.18 -25.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.636 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -64.11 -38.19 90.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.484 0.659 . . . . 0.0 109.401 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.76 -66.49 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.024 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.563 ' CG2' ' HA ' ' B' ' 8' ' ' VAL . 0.0 OUTLIER -42.46 -38.54 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.067 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.419 ' N ' HG23 ' B' ' 11' ' ' ILE . 0.8 OUTLIER -53.62 -49.4 67.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.317 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.592 HG12 ' HG ' ' B' ' 35' ' ' LEU . 37.2 t -57.09 -41.42 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.442 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.705 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -77.72 -29.52 51.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.335 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.442 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.3 t60 -83.52 -15.96 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.151 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -48.74 14.04 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.85 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.4 m-85 -83.82 -54.99 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.69 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.33 117.34 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.957 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.78 -51.34 0.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -31.35 69.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -148.41 99.64 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.72 -162.67 25.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.583 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -77.69 -7.62 56.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.469 0.176 . . . . 0.0 111.381 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt 70.46 59.77 0.23 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.941 0.401 . . . . 0.0 110.803 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.418 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 0.8 OUTLIER -178.16 -28.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.276 179.74 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.671 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.35 160.57 16.92 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 68' ' ' CYS . 3.1 mm? -122.49 138.0 54.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.042 0.448 . . . . 0.0 110.122 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' HA ' ' HE2' ' B' ' 57' ' ' MET . 2.2 pttt -113.61 -177.57 3.17 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.426 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.411 ' HB3' ' CE ' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -50.99 -41.41 59.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.821 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.1 p -63.99 -55.54 21.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.421 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.807 ' O ' HD22 ' B' ' 35' ' ' LEU . 5.1 mt-10 -68.54 -68.06 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.641 0.258 . . . . 0.0 111.665 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -41.32 -69.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.901 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.67 ' CG ' HG11 ' B' ' 53' ' ' VAL . 95.0 mttt -43.02 -43.65 4.36 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 111.434 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -53.01 -54.65 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.739 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.85 HD11 ' CD1' ' B' ' 17' ' ' TYR . 1.5 mm? -51.69 -35.38 42.54 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.666 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.825 ' HA ' HD12 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -58.97 -47.65 89.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.992 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -88.05 -8.74 55.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.411 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 34' ' ' GLU . 35.2 t30 -92.52 -25.23 18.48 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.206 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.533 ' O ' HD23 ' B' ' 40' ' ' LEU . 8.7 pt-20 -150.95 53.24 0.86 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' B' ' 36' ' ' ILE . 96.7 mt -158.56 116.75 2.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.938 0.399 . . . . 0.0 110.803 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 61.3 p -145.63 92.61 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.976 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 17.4 p80 -174.43 -49.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.39 84.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.573 HD11 ' CB ' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -177.71 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.569 -179.687 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.56 58.59 4.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.643 ' O ' HG22 ' B' ' 47' ' ' ILE . 23.3 tt0 63.9 46.09 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.183 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.697 ' HB ' HD12 ' B' ' 36' ' ' ILE . 0.7 OUTLIER 52.58 153.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.67 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.794 ' HB2' HG11 ' B' ' 52' ' ' VAL . 1.6 mtmm -47.92 -27.75 2.32 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.569 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.4 OUTLIER 168.79 178.47 0.03 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.555 0.693 . . . . 0.0 111.764 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 50' ' ' GLN . . . . . 0.437 ' HG2' ' HD3' ' B' ' 33' ' ' LYS . 4.0 mt-30 -74.04 -22.36 59.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.222 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -81.18 -38.27 27.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.563 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.951 ' O ' HG23 ' B' ' 56' ' ' VAL . 20.9 m -63.05 -42.23 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.313 . . . . 0.0 110.456 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.67 HG11 ' CG ' ' B' ' 33' ' ' LYS . 93.9 t -64.28 -47.03 91.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.354 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -54.36 -38.15 65.76 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' B' ' 59' ' ' THR . 16.9 ttmt -79.04 -32.05 44.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.259 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.951 HG23 ' O ' ' B' ' 52' ' ' VAL . 42.9 t -56.73 -53.23 44.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.142 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -64.27 -30.95 71.98 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.743 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' B' ' 61' ' ' ASP . 0.8 OUTLIER -68.48 -32.73 72.93 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.47 178.319 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.588 HG22 ' HB3' ' D' ' 8' ' ' ASN . 1.2 m -61.19 -25.99 67.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.419 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.721 HD13 ' HB2' ' B' ' 76' ' ' PHE . 0.3 OUTLIER -113.32 -9.75 13.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.713 -179.336 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 61' ' ' ASP . . . . . 0.419 ' HB2' ' HA ' ' B' ' 58' ' ' GLU . 42.4 t0 -42.57 93.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.857 0.36 . . . . 0.0 111.675 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 60' ' ' LEU . 2.5 m-20 -99.28 -46.9 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.68 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -160.18 28.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.43 8.82 58.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.496 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 61.59 25.88 15.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.5 -6.39 45.33 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.047 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -98.97 175.36 5.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.614 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.695 ' O ' HD23 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -115.4 85.03 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.431 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.671 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 2.1 p-10 -81.08 -165.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.509 ' HA ' ' HB2' ' B' ' 73' ' ' PHE . 8.2 t80 -70.52 -15.29 62.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.997 0.427 . . . . 0.0 110.843 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.671 ' HA ' HG23 ' A' ' 82' ' ' THR . 7.9 pt20 -76.07 -37.73 57.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.183 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.62 -25.66 35.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.493 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.705 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -54.94 -62.22 1.8 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.463 178.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.451 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 21.8 mmm -61.31 -50.87 71.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.454 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.62 -20.0 43.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.039 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.721 ' HB2' HD13 ' B' ' 60' ' ' LEU . 14.4 t80 -85.34 -75.43 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.096 0.474 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.565 HG13 ' SD ' ' A' ' 7' ' ' MET . 21.6 t -52.19 -23.43 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.511 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 74' ' ' MET . . . -85.38 -47.82 9.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.446 ' CE ' HD23 ' B' ' 60' ' ' LEU . 23.5 mtm -68.57 -50.42 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 0.0 110.086 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.833 HG13 ' NE1' ' D' ' 7' ' ' TRP . 59.3 t -59.04 -40.5 80.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.033 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.712 HG23 ' HB3' ' B' ' 85' ' ' HIS . 4.1 m -71.36 -57.14 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.453 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.667 HG23 ' HA ' ' A' ' 71' ' ' GLN . 59.4 m -48.39 -23.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' D' ' 6' ' ' ASP . . . -82.21 -71.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.794 0.331 . . . . 0.0 111.878 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.9 p -87.39 -51.86 5.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.084 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.712 ' HB3' HG23 ' B' ' 81' ' ' THR . 2.3 t60 -48.22 -24.55 1.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.25 -64.29 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.367 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.57 -27.99 5.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.505 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -80.2 -17.34 52.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.672 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.423 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 35.5 mm-40 54.58 23.73 4.87 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.627 0.251 . . . . 0.0 111.216 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 77.15 -55.88 0.54 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.095 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.91 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.746 0.308 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.17 -71.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.57 -4.2 34.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.548 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.833 ' C ' HD13 ' C' ' 5' ' ' ILE . 1.3 tmtt? -80.23 -1.83 42.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.977 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 0.833 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 47.35 11.96 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -179.458 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.444 ' CB ' ' HB2' ' A' ' 83' ' ' ALA . 23.7 t0 37.66 28.86 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.835 ' NE1' HG13 ' A' ' 80' ' ' VAL . 10.3 m95 -70.97 -67.99 0.47 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.582 ' HB3' HG22 ' A' ' 59' ' ' THR . 35.1 t30 148.28 -97.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.598 0.759 . . . . 0.0 110.991 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -44.72 6.53 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.773 HG23 HD12 ' C' ' 11' ' ' LEU . 0.1 OUTLIER -54.2 -58.51 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.798 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.773 HD12 HG23 ' C' ' 10' ' ' ILE . 2.0 mp -93.82 -18.73 21.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.004 0.43 . . . . 0.0 110.323 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 13.0 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.991 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.817 0.341 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.29 -71.16 0.12 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.54 -4.2 34.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.575 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 0.827 ' C ' HD13 ' D' ' 5' ' ' ILE . 1.3 tmtt? -80.16 -1.96 42.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.966 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 0.827 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 47.34 12.02 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.438 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.436 ' CB ' ' HB2' ' B' ' 83' ' ' ALA . 23.8 t0 37.66 28.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.833 ' NE1' HG13 ' B' ' 80' ' ' VAL . 10.3 m95 -71.03 -67.91 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.588 ' HB3' HG22 ' B' ' 59' ' ' THR . 35.0 t30 148.32 -97.53 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.638 0.775 . . . . 0.0 111.005 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.93 -44.76 6.55 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.761 HG23 HD12 ' D' ' 11' ' ' LEU . 0.1 OUTLIER -54.22 -58.44 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -177.724 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.761 HD12 HG23 ' D' ' 10' ' ' ILE . 2.0 mp -93.83 -18.69 21.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.351 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 12.8 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.997 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.84 -29.44 70.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -50.59 70.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.66 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.6 tt0 -60.45 -46.15 91.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.669 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -56.6 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.677 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.641 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -58.05 -46.29 85.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.514 ' HE3' HG13 ' B' ' 77' ' ' VAL . 6.5 mtt -56.52 -51.09 69.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 4' ' ' GLU . 24.0 t -73.86 -26.3 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.445 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.714 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.36 -37.86 88.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.427 0.632 . . . . 0.0 109.602 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 4.7 mt -73.41 -49.51 26.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.118 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 8' ' ' VAL . 17.9 mt -58.69 -50.24 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.893 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.39 -51.51 14.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.576 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 9' ' ' ALA . 20.9 t -50.79 -52.22 17.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.877 0.37 . . . . 0.0 111.762 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -74.27 -31.37 62.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.728 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.407 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.2 t-80 -64.83 -19.85 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.762 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -84.03 -52.4 6.34 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.961 0.41 . . . . 0.0 109.985 179.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.714 ' CD1' HD11 ' A' ' 35' ' ' LEU . 7.7 m-85 -83.89 -71.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.04 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.609 ' HB2' HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -45.89 137.85 5.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.138 -179.68 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.452 ' HA3' ' CB ' ' A' ' 24' ' ' LYS . . . -38.32 136.03 1.05 Allowed Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 113.213 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.37 -46.91 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 111.163 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.57 155.69 31.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 111.037 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.52 -169.88 54.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.586 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -54.45 -24.68 21.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.832 0.348 . . . . 0.0 110.995 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.452 ' CB ' ' HA3' ' A' ' 19' ' ' GLY . 10.6 tttp -52.86 95.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.052 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -151.97 67.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.558 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.646 ' CE ' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -174.14 173.73 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.135 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.767 HD23 ' HB3' ' A' ' 31' ' ' GLU . 2.0 mp -136.74 136.95 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.493 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 2.7 mtmt -101.2 179.05 4.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.928 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 12.0 mttt -53.14 -28.61 26.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.4 m -80.79 -38.6 28.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.794 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.767 ' HB3' HD23 ' A' ' 27' ' ' LEU . 4.7 mt-10 -70.23 -63.87 1.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 HD13 ' A' ' 60' ' ' LEU . 3.5 tt -49.77 -55.89 12.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.129 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.838 ' CE ' HG12 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -45.49 -42.66 10.91 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.55 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.4 mm-40 -57.98 -68.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.495 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.714 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.3 mm? -40.34 -32.79 0.2 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.01 0.433 . . . . 0.0 111.869 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.819 HG23 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -56.57 -67.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.438 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -79.21 -8.21 58.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.407 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.539 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 4.5 t30 -76.74 -43.84 35.59 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.706 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' OE2' HG22 ' A' ' 13' ' ' VAL . 6.3 pt-20 -167.57 60.55 0.08 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.819 HD12 HG23 ' A' ' 36' ' ' ILE . 8.5 mt -107.66 -76.86 0.6 Allowed 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.683 178.258 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.45 109.25 1.1 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.2 t60 70.83 -63.65 0.41 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.722 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -176.98 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.0 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.852 HD23 ' O ' ' A' ' 47' ' ' ILE . 6.8 mp -114.53 -87.19 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 66.66 -68.93 0.13 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.792 0.329 . . . . 0.0 111.285 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -89.7 6.98 39.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.391 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.896 ' CG2' HG22 ' A' ' 53' ' ' VAL . 9.7 pt -140.17 83.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.896 0.379 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -21.64 31.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.432 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.809 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -160.53 -179.38 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.699 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -38.03 51.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 0.0 110.592 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.76 95.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.226 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.885 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.2 m -63.13 -42.07 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.23 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.896 HG22 ' CG2' ' A' ' 47' ' ' ILE . 5.3 t -51.03 -59.16 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.687 0.28 . . . . 0.0 111.32 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.29 -43.78 22.74 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.917 0.389 . . . . 0.0 110.381 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -71.38 -34.45 70.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.556 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 52' ' ' VAL . 82.2 t -57.31 -57.81 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.342 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.414 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -58.23 -33.57 69.48 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.709 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -34.27 75.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.429 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.742 HG23 ' H ' ' C' ' 9' ' ' LYS . 2.7 m -68.61 -14.08 62.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.913 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -85.57 -14.26 46.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.443 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.24 92.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.862 0.363 . . . . 0.0 111.363 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -113.12 -31.21 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -178.7 43.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' HA2' ' NZ ' ' A' ' 26' ' ' LYS . . . -116.57 5.72 18.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.641 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.44 25.51 15.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.956 0.408 . . . . 0.0 110.528 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.22 -33.54 3.98 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.522 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -97.05 177.84 5.46 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 110.208 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.654 ' O ' HD12 ' A' ' 27' ' ' LEU . 5.4 m -134.32 115.5 14.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.286 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.646 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 16.5 p-10 -88.47 -153.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.144 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.623 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -74.05 -31.62 62.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.678 0.275 . . . . 0.0 111.252 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 1.3 pt20 -70.19 -29.16 65.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.779 -179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 6.0 mm-40 -76.62 -50.99 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.391 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -64.36 -39.32 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.806 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.631 ' CE ' HG21 ' B' ' 81' ' ' THR . 63.6 mmm -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 0.0 110.024 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -71.41 -32.19 68.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.56 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.775 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 75.8 t80 -65.79 -71.28 0.2 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.459 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.466 HG13 ' CE ' ' B' ' 7' ' ' MET . 22.9 t -46.74 -29.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.06 0.457 . . . . 0.0 110.533 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.67 -38.77 17.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.108 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.775 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 1.4 ptt? -78.14 -41.94 33.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.181 0.515 . . . . 0.0 110.699 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.744 HG13 ' NE1' ' C' ' 7' ' ' TRP . 49.1 t -64.53 -44.26 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.613 HG21 ' CE ' ' B' ' 74' ' ' MET . 10.1 t -69.4 -41.0 77.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.134 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 78' ' ' ALA . 1.8 p -55.3 -32.26 62.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.05 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.746 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -77.14 -62.33 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.451 ' HB3' HG23 ' C' ' 5' ' ' ILE . 14.5 p -87.08 -49.37 7.36 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.436 ' CD2' ' HA ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -50.56 -22.69 2.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.824 0.345 . . . . 0.0 110.785 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 82' ' ' THR . 14.5 tt0 -46.06 -63.71 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.017 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -30.6 6.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.492 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -73.34 -26.2 60.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.434 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 10.5 pt-20 42.22 67.06 0.63 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.509 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -124.25 -76.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.877 179.948 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.854 0.359 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.68 -29.48 70.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.41 ' HG ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -62.42 -50.52 71.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.666 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 4' ' ' GLU . . . . . 0.645 ' O ' HG23 ' B' ' 8' ' ' VAL . 6.6 tt0 -60.41 -46.21 90.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.662 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -56.62 17.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -57.98 -46.32 85.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.466 ' CE ' HG13 ' A' ' 77' ' ' VAL . 6.5 mtt -56.54 -51.08 69.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 4' ' ' GLU . 23.9 t -73.96 -26.11 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.475 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.69 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.38 -38.0 89.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.393 0.616 . . . . 0.0 109.558 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.425 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 4.8 mt -73.36 -49.56 26.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.129 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' B' ' 8' ' ' VAL . 17.8 mt -58.65 -50.08 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.97 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.58 -51.49 15.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.52 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 9' ' ' ALA . 21.1 t -50.89 -52.17 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.343 . . . . 0.0 111.673 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -74.29 -31.32 62.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.713 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' B' ' 11' ' ' ILE . 1.2 t-80 -64.86 -19.87 66.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -83.99 -52.42 6.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.012 0.434 . . . . 0.0 109.977 179.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.714 ' CD1' HD11 ' B' ' 35' ' ' LEU . 7.7 m-85 -83.9 -71.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.058 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.602 ' HB2' HD11 ' B' ' 27' ' ' LEU . 0.5 OUTLIER -45.79 137.88 5.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.154 -179.717 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.451 ' HA3' ' CB ' ' B' ' 24' ' ' LYS . . . -38.3 135.99 1.05 Allowed Glycine 0 CA--C 1.518 0.241 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.287 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.32 -46.93 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.693 0.282 . . . . 0.0 111.204 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.56 155.66 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.071 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.6 -169.8 54.11 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.545 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -54.48 -24.72 21.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.965 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.451 ' CB ' ' HA3' ' B' ' 19' ' ' GLY . 10.6 tttp -52.93 95.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.988 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -151.98 67.9 0.87 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.522 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.639 ' CE ' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -174.2 173.73 3.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.034 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.777 HD23 ' HB3' ' B' ' 31' ' ' GLU . 2.0 mp -136.71 137.07 39.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 0.0 110.475 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.54 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 2.8 mtmt -101.38 179.06 4.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.861 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 12.0 mttt -53.1 -28.62 26.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.2 m -80.68 -38.78 28.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.777 ' HB3' HD23 ' B' ' 27' ' ' LEU . 4.8 mt-10 -70.21 -63.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.45 HD11 HD13 ' B' ' 60' ' ' LEU . 3.5 tt -49.7 -55.9 12.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.197 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.832 ' CE ' HG12 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -45.45 -42.81 10.88 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.476 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 2.4 mm-40 -57.8 -68.41 0.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.517 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.715 ' H ' HD22 ' B' ' 35' ' ' LEU . 1.3 mm? -40.51 -32.69 0.21 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.955 0.407 . . . . 0.0 111.769 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.804 HG23 HD12 ' B' ' 40' ' ' LEU . 1.3 mt -56.68 -67.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.4 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -79.17 -8.25 58.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.472 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.555 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 4.5 t30 -76.81 -43.76 35.32 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.673 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.42 ' OE2' HG22 ' B' ' 13' ' ' VAL . 6.2 pt-20 -167.57 60.5 0.08 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.804 HD12 HG23 ' B' ' 36' ' ' ILE . 8.5 mt -107.69 -76.83 0.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.712 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.42 109.24 1.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.62 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.4 t60 70.88 -63.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.707 ' HB3' HD12 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -177.08 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.864 HD23 ' O ' ' B' ' 47' ' ' ILE . 6.8 mp -114.58 -87.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 66.59 -68.97 0.13 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.717 0.294 . . . . 0.0 111.218 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' B' ' 44' ' ' LEU . 0.1 OUTLIER -89.64 6.89 39.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.384 -179.849 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.895 ' CG2' HG22 ' B' ' 53' ' ' VAL . 9.7 pt -140.09 83.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -21.69 31.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.37 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.794 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -160.56 -179.51 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.709 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -38.01 51.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.964 0.412 . . . . 0.0 110.586 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.77 95.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.278 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.897 ' O ' HG23 ' B' ' 56' ' ' VAL . 4.2 m -63.19 -42.05 95.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.218 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.895 HG22 ' CG2' ' B' ' 47' ' ' ILE . 5.2 t -50.96 -59.28 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 120.689 0.28 . . . . 0.0 111.329 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.26 -43.83 22.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.908 0.385 . . . . 0.0 110.331 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -71.36 -34.35 70.39 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.619 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.897 HG23 ' O ' ' B' ' 52' ' ' VAL . 82.5 t -57.3 -57.85 8.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.339 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.41 ' HB2' HD13 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -58.22 -33.48 69.36 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.732 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -34.27 75.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.368 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.729 HG23 ' H ' ' D' ' 9' ' ' LYS . 2.7 m -68.64 -13.94 62.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.972 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -85.61 -14.34 45.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.475 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.16 92.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.835 0.35 . . . . 0.0 111.377 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -113.24 -31.02 6.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.736 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -178.83 43.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.418 ' HA2' ' NZ ' ' B' ' 26' ' ' LYS . . . -116.54 5.66 18.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.643 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.48 25.53 15.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 110.52 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.11 -33.44 4.03 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.506 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.54 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -97.03 177.84 5.47 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.836 0.35 . . . . 0.0 110.265 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.65 ' O ' HD12 ' B' ' 27' ' ' LEU . 5.5 m -134.33 115.5 14.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.25 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.639 ' HB3' ' CE ' ' B' ' 26' ' ' LYS . 16.4 p-10 -88.46 -153.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.142 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.624 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 1.0 OUTLIER -73.88 -31.77 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.292 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.407 ' HG2' ' OD2' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -70.14 -29.11 65.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.801 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.463 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 6.0 mm-40 -76.6 -51.05 12.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 111.401 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.624 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -64.33 -39.28 93.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.854 -179.742 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.613 ' CE ' HG21 ' A' ' 81' ' ' THR . 63.5 mmm -62.06 -35.3 78.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.016 0.436 . . . . 0.0 109.888 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -71.35 -32.22 68.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.598 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.773 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 75.9 t80 -65.84 -71.23 0.2 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.436 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.514 HG13 ' HE3' ' A' ' 7' ' ' MET . 22.6 t -46.65 -29.59 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.086 0.469 . . . . 0.0 110.616 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.587 ' O ' HG23 ' B' ' 82' ' ' THR . . . -85.51 -38.94 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.133 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.773 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 1.4 ptt? -77.98 -42.04 34.08 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.178 0.513 . . . . 0.0 110.691 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.745 HG13 ' NE1' ' D' ' 7' ' ' TRP . 49.1 t -64.49 -44.33 96.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.631 HG21 ' CE ' ' A' ' 74' ' ' MET . 10.1 t -69.29 -41.0 77.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.177 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.587 HG23 ' O ' ' B' ' 78' ' ' ALA . 1.8 p -55.32 -32.28 62.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.073 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.765 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -77.1 -62.27 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.437 ' HB3' HG23 ' D' ' 5' ' ' ILE . 14.6 p -87.17 -49.22 7.44 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.437 ' CD2' ' HA ' ' B' ' 89' ' ' GLU . 0.6 OUTLIER -50.63 -22.64 2.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.874 0.369 . . . . 0.0 110.821 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' B' ' 82' ' ' THR . 14.4 tt0 -45.92 -63.78 0.89 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.1 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -30.77 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.36 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -73.19 -26.23 61.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.51 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.437 ' HA ' ' CD2' ' B' ' 85' ' ' HIS . 10.5 pt-20 42.13 67.15 0.62 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.534 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -124.23 -76.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.9 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' THR . . . . . 0.438 HG22 ' HB2' ' A' ' 83' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.754 0.312 . . . . 0.0 111.222 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -99.13 -69.1 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -98.25 1.55 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.344 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.714 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -90.41 -7.96 51.81 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.38 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 0.996 HD11 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER 48.82 12.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.746 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 30.0 t0 45.8 41.63 7.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.744 ' NE1' HG13 ' A' ' 80' ' ' VAL . 11.5 m95 -78.63 -69.08 0.59 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.629 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.9 OUTLIER 156.14 -88.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.671 178.794 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.742 ' H ' HG23 ' A' ' 59' ' ' THR . 1.3 tmtt? -97.56 -52.1 3.89 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.707 HG23 HD23 ' C' ' 11' ' ' LEU . 0.1 OUTLIER -54.09 -54.4 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.855 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.996 HD12 HD11 ' C' ' 5' ' ' ILE . 2.6 mm? -87.5 -23.97 24.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.071 0.462 . . . . 0.0 110.057 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 19.9 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.194 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 1' ' ' THR . . . . . 0.436 HG22 ' HB2' ' B' ' 83' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.887 0.375 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -99.03 -69.1 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -98.34 1.55 47.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.305 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 0.693 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -90.47 -7.81 52.07 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 111.416 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 0.979 HD11 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER 48.76 12.61 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.765 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 29.9 t0 45.8 41.6 7.82 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.745 ' NE1' HG13 ' B' ' 80' ' ' VAL . 11.5 m95 -78.63 -69.07 0.59 Allowed 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.632 ' HB2' HG22 ' B' ' 59' ' ' THR . 0.9 OUTLIER 156.13 -88.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.628 178.777 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 9' ' ' LYS . . . . . 0.729 ' H ' HG23 ' B' ' 59' ' ' THR . 1.2 tmtt? -97.64 -51.97 3.93 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.697 HG23 HD23 ' D' ' 11' ' ' LEU . 0.1 OUTLIER -54.19 -54.36 21.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.979 HD12 HD11 ' D' ' 5' ' ' ILE . 2.6 mm? -87.57 -23.91 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.042 0.449 . . . . 0.0 109.988 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 20.3 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.178 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.863 0.363 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.419 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 4.4 mt-10 -69.15 -14.06 62.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.356 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.546 HD13 HD11 ' B' ' 40' ' ' LEU . 3.9 mt -82.26 -25.6 33.92 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -84.01 -43.03 15.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.567 0.222 . . . . 0.0 111.344 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -72.96 -49.45 29.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.367 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.479 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -57.83 -50.83 71.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.299 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.548 ' O ' HG12 ' A' ' 11' ' ' ILE . 23.2 ttm -48.33 -63.1 1.17 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.485 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 19.4 t -69.27 -22.69 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.025 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -60.29 -41.68 93.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.325 0.583 . . . . 0.0 109.933 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.567 HD11 ' CE ' ' A' ' 74' ' ' MET . 1.1 pp -71.06 -37.29 72.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.723 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.759 HD12 ' CE1' ' A' ' 70' ' ' PHE . 2.6 mm -64.72 -43.6 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.44 -40.61 18.47 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.529 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 HD11 ' A' ' 35' ' ' LEU . 39.4 t -58.05 -47.49 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.464 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -71.01 -26.92 63.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.617 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -81.4 -20.4 40.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.394 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -81.72 -38.28 26.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.97 0.414 . . . . 0.0 110.497 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.438 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 1.8 m-85 -83.02 -55.13 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -62.68 -48.82 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.88 -29.3 50.45 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.755 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -30.79 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -73.72 -74.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.56 -49.86 0.11 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -61.59 -39.1 89.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.97 32.3 21.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.965 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -167.32 47.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.045 179.862 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.702 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -175.88 147.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.702 HD13 ' O ' ' A' ' 26' ' ' LYS . 2.1 mm? -135.04 139.16 44.57 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -115.99 -178.19 3.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.111 0.482 . . . . 0.0 111.807 -179.204 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -59.44 -19.05 44.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.858 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 m -83.46 -54.53 4.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -78.33 -55.08 5.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.357 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.472 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.5 tm? -46.75 -61.04 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.591 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 mptt -54.98 -58.95 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.16 -41.48 65.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.573 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.943 HD11 HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -59.08 -50.89 72.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.16 0.505 . . . . 0.0 111.101 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.886 HG21 HG13 ' A' ' 47' ' ' ILE . 2.2 mt -56.0 -41.81 69.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.59 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.66 -13.44 59.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.451 179.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.48 -33.17 13.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.02 -37.53 5.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.525 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 36' ' ' ILE . 1.4 mp -103.51 30.39 5.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.003 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 p -61.33 -29.87 70.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.796 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -60.37 -47.69 84.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.988 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -154.46 140.04 17.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.318 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.5 HD22 ' HB ' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -111.63 82.65 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.366 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.7 -25.04 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.724 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.763 ' O ' HD13 ' A' ' 47' ' ' ILE . 1.7 pm0 -143.12 17.19 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.886 HG13 HG21 ' A' ' 36' ' ' ILE . 1.8 mm -137.51 49.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.246 0.546 . . . . 0.0 111.013 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -68.87 0.14 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.643 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.603 ' O ' HG22 ' A' ' 52' ' ' VAL . 28.8 mt-10 -108.64 -176.11 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.136 0.493 . . . . 0.0 111.631 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -41.32 49.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.094 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -42.58 97.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 49' ' ' GLU . 8.9 m -62.13 -42.7 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.019 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.855 HG22 ' CG2' ' A' ' 47' ' ' ILE . 1.9 t -51.97 -43.51 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 120.624 0.25 . . . . 0.0 111.444 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 4.1 m-20 -58.8 -55.77 30.85 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HB3' HG12 ' C' ' 10' ' ' ILE . 2.5 ttmt -63.58 -43.3 97.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.75 HG12 ' HA ' ' A' ' 53' ' ' VAL . 10.6 p -64.14 -50.75 75.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.163 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.543 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 1.7 tmm? -58.29 -43.02 87.84 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -66.98 -31.54 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.522 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.844 HG23 ' H ' ' C' ' 9' ' ' LYS . 21.4 m -64.44 -30.08 71.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -87.17 -26.62 23.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.415 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -43.6 95.91 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.861 0.362 . . . . 0.0 111.306 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -109.14 -56.44 2.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.713 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.4 31.74 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.1 9.87 58.13 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.502 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.21 23.02 11.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.808 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.17 -26.05 10.79 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.616 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.546 ' HB3' ' HG3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -94.6 -177.58 4.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.755 0.312 . . . . 0.0 110.544 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.584 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -121.22 86.12 2.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.372 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.504 ' HA ' ' HA ' ' A' ' 26' ' ' LYS . 7.8 p-10 -73.53 -159.16 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.759 ' CE1' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -73.71 -30.85 63.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.38 . . . . 0.0 110.687 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.4 -39.49 87.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.373 0.606 . . . . 0.0 110.11 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.507 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 2.0 mm-40 -69.74 -31.81 70.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.827 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.42 -53.83 51.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.102 178.836 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.567 ' CE ' HD11 ' A' ' 10' ' ' LEU . 29.9 mmt -51.81 -54.31 30.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.546 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.13 74.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.708 ' HA ' HD21 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -55.63 -74.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.447 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 81' ' ' THR . 4.2 p -59.78 -36.67 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.182 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -65.86 -50.05 65.93 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.8 mtm -64.65 -67.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.261 0.553 . . . . 0.0 111.268 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.642 HG22 ' CD2' ' C' ' 7' ' ' TRP . 12.1 t -45.46 -27.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.341 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 77' ' ' VAL . 15.9 p -78.66 -52.75 7.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.877 0.37 . . . . 0.0 111.43 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.5 m -45.07 -33.47 2.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.746 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.626 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -82.67 -65.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.704 ' HB3' HG22 ' C' ' 5' ' ' ILE . 19.9 p -84.83 -45.45 12.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -178.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.552 ' C ' ' H ' ' A' ' 87' ' ' PHE . 10.1 t-80 -55.46 -16.69 4.0 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.497 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -56.95 -0.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.843 177.338 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.552 ' H ' ' C ' ' A' ' 85' ' ' HIS . 60.2 m-85 83.79 34.65 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 36.2 p90 42.72 31.65 0.32 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.391 -178.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' C' ' 2' ' ' ARG . 2.2 tp10 -170.89 152.99 3.75 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.418 ' CB ' ' HG2' ' C' ' 2' ' ' ARG . 15.3 t-160 -139.49 -53.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.912 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.878 0.371 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.426 ' HG2' ' HB1' ' A' ' 9' ' ' ALA . 4.4 mt-10 -69.19 -13.92 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.418 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.54 HD13 HD11 ' A' ' 40' ' ' LEU . 3.8 mt -82.28 -25.65 33.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.549 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.94 -43.07 15.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.593 0.235 . . . . 0.0 111.357 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -72.95 -49.42 29.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.859 0.362 . . . . 0.0 111.061 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.479 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -57.92 -50.85 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.538 ' O ' HG12 ' B' ' 11' ' ' ILE . 23.5 ttm -48.27 -63.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.492 ' HA ' HG12 ' B' ' 11' ' ' ILE . 19.0 t -69.26 -22.71 26.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.117 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -60.27 -41.78 94.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.291 0.567 . . . . 0.0 109.92 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.573 HD11 ' CE ' ' B' ' 74' ' ' MET . 1.1 pp -71.05 -37.14 72.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.727 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.74 HD12 ' CE1' ' B' ' 70' ' ' PHE . 2.6 mm -64.84 -43.57 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.525 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -40.61 18.17 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.899 HG12 HD11 ' B' ' 35' ' ' LEU . 39.5 t -58.04 -47.46 86.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.472 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.514 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -71.05 -26.86 63.27 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.618 179.466 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -81.46 -20.44 40.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.376 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.81 -38.11 26.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.539 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.436 ' CG ' ' HG ' ' B' ' 35' ' ' LEU . 1.8 m-85 -83.06 -55.15 4.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.05 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -62.76 -48.84 77.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.16 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.9 -29.31 50.64 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.765 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.67 -30.82 70.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -73.67 -74.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.51 -49.76 0.11 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.565 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -61.68 -39.09 90.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.784 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.83 32.4 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.452 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 0.8 OUTLIER -167.37 47.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 179.864 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.688 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -175.87 147.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.688 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.1 mm? -135.02 139.26 44.69 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -116.0 -178.21 3.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.122 0.487 . . . . 0.0 111.731 -179.087 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -59.41 -19.15 44.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.891 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 44.4 m -83.37 -54.49 4.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.82 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -78.27 -55.11 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.374 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.465 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.5 tm? -46.85 -61.03 2.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.55 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 5.3 mptt -54.95 -58.99 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 111.11 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.11 -41.49 65.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.58 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.899 HD11 HG12 ' B' ' 13' ' ' VAL . 0.3 OUTLIER -59.15 -50.89 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.146 0.498 . . . . 0.0 111.037 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.901 HG21 HG13 ' B' ' 47' ' ' ILE . 2.2 mt -55.93 -41.92 69.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.553 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -77.6 -13.41 59.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.519 179.159 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -94.66 -32.98 13.14 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.14 -37.5 5.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.506 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' B' ' 36' ' ' ILE . 1.4 mp -103.47 30.44 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.009 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.1 p -61.41 -29.81 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.775 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -60.41 -47.56 85.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.064 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -154.53 140.0 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.359 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.522 HD22 ' HB ' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -111.63 82.68 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.312 179.62 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.76 -25.08 25.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.698 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.757 ' O ' HD13 ' B' ' 47' ' ' ILE . 1.7 pm0 -143.06 17.22 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.901 HG13 HG21 ' B' ' 36' ' ' ILE . 1.8 mm -137.61 49.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.271 0.558 . . . . 0.0 111.021 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.85 -68.94 0.14 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.648 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.608 ' O ' HG23 ' B' ' 53' ' ' VAL . 28.9 mt-10 -108.73 -176.02 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.08 0.466 . . . . 0.0 111.59 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -41.35 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.115 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -42.61 97.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.194 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.591 HG22 ' O ' ' B' ' 49' ' ' GLU . 9.1 m -62.2 -42.7 96.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.038 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.852 HG22 ' CG2' ' B' ' 47' ' ' ILE . 1.9 t -51.92 -43.59 36.08 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-O 120.721 0.296 . . . . 0.0 111.416 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 4.1 m-20 -58.74 -55.78 30.68 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.562 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.429 ' HB3' HG12 ' D' ' 10' ' ' ILE . 2.4 ttmt -63.51 -43.31 97.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.755 HG12 ' HA ' ' B' ' 53' ' ' VAL . 10.6 p -64.2 -50.6 76.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.128 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.526 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 1.7 tmm? -58.43 -42.98 88.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -66.97 -31.58 72.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.619 179.101 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.84 HG23 ' H ' ' D' ' 9' ' ' LYS . 21.6 m -64.37 -30.05 71.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.695 HD21 ' HA ' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -87.27 -26.54 23.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.448 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -43.76 95.96 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.883 0.373 . . . . 0.0 111.276 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -109.06 -56.44 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.744 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.53 31.8 2.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.12 9.77 58.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.451 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.29 23.01 11.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.796 0.332 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.15 -26.14 10.72 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.549 ' HB3' ' HG3' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -94.6 -177.52 4.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.54 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.59 ' O ' HD23 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -121.25 86.19 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.373 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.479 ' HA ' ' HA ' ' B' ' 26' ' ' LYS . 7.9 p-10 -73.55 -159.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.74 ' CE1' HD12 ' B' ' 11' ' ' ILE . 0.3 OUTLIER -73.81 -30.83 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.025 0.441 . . . . 0.0 110.741 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.4 -39.39 87.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.353 0.597 . . . . 0.0 110.204 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.504 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 2.0 mm-40 -69.68 -31.91 70.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.889 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.1 OUTLIER -55.44 -53.75 52.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.128 178.847 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.573 ' CE ' HD11 ' B' ' 10' ' ' LEU . 29.9 mmt -51.8 -54.41 29.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.512 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.41 -33.2 75.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.695 ' HA ' HD21 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -55.59 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.429 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 81' ' ' THR . 4.3 p -59.84 -36.7 67.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.125 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -65.97 -49.96 66.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.76 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.8 mtm -64.73 -67.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.282 0.563 . . . . 0.0 111.257 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.652 HG22 ' CD2' ' D' ' 7' ' ' TRP . 12.3 t -45.53 -27.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.348 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.606 HG23 ' O ' ' B' ' 77' ' ' VAL . 16.0 p -78.72 -52.76 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.0 111.383 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -45.1 -33.45 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.764 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -82.58 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.726 ' HB3' HG22 ' D' ' 5' ' ' ILE . 19.9 p -84.78 -45.5 12.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.064 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.555 ' C ' ' H ' ' B' ' 87' ' ' PHE . 10.1 t-80 -55.47 -16.64 3.98 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.493 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' B' ' 87' ' ' PHE . 0.4 OUTLIER -56.92 -1.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.8 177.397 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 87' ' ' PHE . . . . . 0.555 ' H ' ' C ' ' B' ' 85' ' ' HIS . 60.4 m-85 83.81 34.72 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -177.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' B' ' 88' ' ' PHE . 36.3 p90 42.74 31.61 0.32 Allowed 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.448 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.479 ' HA ' ' HB3' ' D' ' 2' ' ' ARG . 2.2 tp10 -170.87 152.86 3.73 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.81 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.414 ' CB ' ' HG2' ' D' ' 2' ' ' ARG . 15.2 t-160 -139.37 -53.03 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.905 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' THR . . . . . 0.782 HG22 ' OD2' ' C' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.728 0.299 . . . . 0.0 111.296 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ARG . . . . . 0.463 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -50.42 -71.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 0.0 110.423 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -99.32 1.9 44.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 1.011 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -79.22 -3.17 44.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.549 179.577 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 1.011 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 33.79 37.62 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 121.354 0.597 . . . . 0.0 111.589 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.782 ' OD2' HG22 ' C' ' 1' ' ' THR . 17.9 p-10 -60.82 83.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.989 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.642 ' CD2' HG22 ' A' ' 80' ' ' VAL . 20.6 m0 -75.47 -39.33 58.83 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.426 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.586 ' O ' ' HA ' ' C' ' 12' ' ' SER . 3.8 m-20 168.41 -93.63 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.743 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.844 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -97.92 -44.81 6.53 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.659 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.728 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.95 -59.24 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.034 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.728 HD23 HG23 ' C' ' 10' ' ' ILE . 3.8 mm? -91.73 -12.88 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 47.2 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.165 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 1' ' ' THR . . . . . 0.787 HG22 ' OD2' ' D' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.678 0.275 . . . . 0.0 111.267 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ARG . . . . . 0.479 ' HB3' ' HA ' ' B' ' 89' ' ' GLU . 0.4 OUTLIER -50.38 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.436 179.766 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -99.25 1.88 45.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.977 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 1.019 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -79.18 -3.12 44.14 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.495 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 1.019 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 33.85 37.48 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.31 0.576 . . . . 0.0 111.6 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.787 ' OD2' HG22 ' D' ' 1' ' ' THR . 17.9 p-10 -60.84 83.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.075 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.652 ' CD2' HG22 ' B' ' 80' ' ' VAL . 20.2 m0 -75.39 -39.4 59.14 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.585 ' O ' ' HA ' ' D' ' 12' ' ' SER . 3.8 m-20 168.49 -93.58 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.708 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 9' ' ' LYS . . . . . 0.84 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -98.0 -44.79 6.51 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.622 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.74 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.87 -59.24 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -178.075 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.74 HD23 HG23 ' D' ' 10' ' ' ILE . 3.8 mm? -91.77 -12.86 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 47.4 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.199 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.6 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.885 0.374 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.725 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.2 OUTLIER -61.81 -38.57 88.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.361 0.601 . . . . 0.0 110.745 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.493 HD12 ' OE2' ' B' ' 39' ' ' GLU . 0.7 OUTLIER -55.16 -23.05 19.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.834 179.752 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.44 -43.4 14.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.517 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -79.82 -34.38 39.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.698 0.285 . . . . 0.0 111.098 -179.562 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -63.97 -43.54 95.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.844 0.355 . . . . 0.0 110.633 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.5 ttm -58.86 -54.39 47.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.261 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.658 ' HA ' HG22 ' A' ' 11' ' ' ILE . 23.6 t -74.21 -17.54 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.466 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.714 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -66.22 -40.97 90.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.36 0.6 . . . . 0.0 109.453 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -65.56 -58.97 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.072 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -52.66 -38.36 27.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.504 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.7 -43.45 47.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.984 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.81 HG12 ' HG ' ' A' ' 35' ' ' LEU . 3.2 t -63.69 -34.15 66.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.559 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -79.7 -28.74 40.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.114 179.458 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.4 m170 -81.26 -15.96 54.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.01 -50.01 9.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.889 0.376 . . . . 0.0 110.001 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.834 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.7 m-85 -83.7 -60.54 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.433 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.418 ' HB2' HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.85 127.99 34.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.904 0.383 . . . . 0.0 111.07 -179.767 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.647 ' N ' ' HB2' ' A' ' 24' ' ' LYS . . . 122.29 46.0 0.31 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.689 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -58.47 -33.95 70.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.474 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -128.35 29.07 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.68 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.64 -142.61 8.4 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.291 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -85.29 -29.88 24.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.647 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 66.15 -166.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.327 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 14.8 t-160 -168.82 -33.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.962 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.675 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.56 157.08 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.385 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 31' ' ' GLU . 3.4 mp -134.58 138.82 44.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 -178.67 3.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.321 -179.167 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' N ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -47.08 -44.01 20.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.775 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -56.77 -50.21 72.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.725 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.788 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -69.89 -68.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.973 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' A' ' 53' ' ' VAL . 30.9 tp -42.37 -71.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.91 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.801 ' HG2' HG11 ' A' ' 53' ' ' VAL . 75.2 mttt -42.58 -46.44 4.93 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.772 0.32 . . . . 0.0 111.711 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -49.2 -58.45 4.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.834 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.2 mm? -52.92 -32.59 46.3 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.924 0.392 . . . . 0.0 111.523 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.001 HG23 HD12 ' A' ' 40' ' ' LEU . 1.5 mt -58.93 -53.3 49.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.71 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' HB3' ' CG ' ' A' ' 46' ' ' GLU . 24.4 p30 -83.81 -8.17 59.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.636 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.454 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 5.7 t-20 -97.65 -18.57 18.81 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' OE2' HD12 ' B' ' 3' ' ' LEU . 0.0 OUTLIER -150.03 42.43 0.86 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.173 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.001 HD12 HG23 ' A' ' 36' ' ' ILE . 59.1 mt -135.13 -88.05 0.36 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.858 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.27 52.4 12.15 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.834 0.35 . . . . 0.0 111.459 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -155.47 -71.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.932 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CD2' ' HA ' ' A' ' 91' ' ' GLU . 85.8 m-85 -106.14 -51.45 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.346 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.594 ' CB ' HD13 ' A' ' 40' ' ' LEU . 2.6 mm? -100.04 34.38 2.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.019 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.45 104.53 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.311 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.648 ' O ' HG22 ' A' ' 47' ' ' ILE . 2.3 mt-10 59.58 20.79 9.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.674 ' HB ' HG21 ' A' ' 36' ' ' ILE . 0.6 OUTLIER 50.86 164.29 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 O-C-N 123.433 0.458 . . . . 0.0 111.511 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.646 ' H ' HG13 ' A' ' 47' ' ' ILE . 6.2 mtmt -54.76 -33.41 61.24 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 111.253 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 52' ' ' VAL . 6.6 tt0 174.39 175.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.714 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -16.83 61.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.08 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -81.29 -40.01 24.34 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.228 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.97 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.8 m -64.63 -38.35 82.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.801 HG11 ' HG2' ' A' ' 33' ' ' LYS . 74.3 t -64.56 -51.29 69.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.125 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.4 -32.85 18.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.235 0.54 . . . . 0.0 109.715 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -85.38 -30.69 23.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.478 178.339 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 52' ' ' VAL . 55.0 t -61.15 -48.33 89.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.434 ' HE1' ' N ' ' A' ' 29' ' ' LYS . 3.8 ptp -68.11 -39.48 82.8 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -32.94 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.115 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.713 HG23 ' HB2' ' C' ' 8' ' ' ASN . 34.5 m -76.92 -20.16 56.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.105 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.935 HD11 ' CD1' ' A' ' 76' ' ' PHE . 7.3 mt -98.68 -17.88 18.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.04 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -40.59 93.26 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.066 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.48 -31.57 9.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.349 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 p30 179.1 38.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.624 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 26' ' ' LYS . . . -114.74 5.83 22.5 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.934 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 63.04 24.79 14.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.683 0.278 . . . . 0.0 111.198 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.64 18.34 11.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.67 -0.776 . . . . 0.0 113.15 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.36 159.51 33.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.791 0.329 . . . . 0.0 110.338 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.99 86.58 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.675 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -74.35 -175.01 2.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 0.0 110.386 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.657 ' CG ' HD12 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -63.27 -35.54 80.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.778 -179.514 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.567 ' HA ' HG22 ' B' ' 82' ' ' THR . 0.2 OUTLIER -74.19 -26.36 60.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.442 ' O ' HD22 ' A' ' 60' ' ' LEU . 5.2 mm-40 -77.96 -38.4 45.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.333 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -73.44 -31.81 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.655 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.433 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 6.7 mmm -61.9 -60.94 2.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 79' ' ' MET . . . -60.52 -23.53 64.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.752 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.935 ' CD1' HD11 ' A' ' 60' ' ' LEU . 20.7 t80 -67.37 -71.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.901 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 81' ' ' THR . 22.8 t -45.6 -29.92 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-O 121.108 0.48 . . . . 0.0 110.654 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.98 -44.65 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.969 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -69.53 -41.45 75.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.342 0.591 . . . . 0.0 110.571 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.626 HG13 ' CZ2' ' C' ' 7' ' ' TRP . 57.9 t -64.61 -42.99 96.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.843 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 77' ' ' VAL . 52.2 p -73.35 -49.13 28.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.06 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 78' ' ' ALA . 13.3 p -46.22 -31.81 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.904 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' C' ' 1' ' ' THR . . . -80.62 -68.66 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -53.84 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 6.2 t60 -47.11 -20.44 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.0 110.952 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.48 ' HA ' ' CE2' ' B' ' 70' ' ' PHE . 30.2 tt0 -55.03 -65.66 0.54 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.032 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -13.86 6.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -95.14 -18.52 20.87 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.626 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 85' ' ' HIS . 4.7 mt-10 59.46 109.19 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.415 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -99.53 -72.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 13.9 pt-20 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 84.9 p . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.714 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -61.95 -38.6 89.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.282 0.563 . . . . 0.0 110.689 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.493 HD12 ' OE2' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -55.02 -23.17 18.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.92 179.666 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.4 -43.27 14.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.611 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.537 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -79.85 -34.38 39.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.701 0.286 . . . . 0.0 111.086 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -63.94 -43.65 95.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.891 0.376 . . . . 0.0 110.533 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.5 ttm -58.84 -54.22 49.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.314 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.65 ' HA ' HG22 ' B' ' 11' ' ' ILE . 24.0 t -74.35 -17.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.381 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.725 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -66.35 -40.91 90.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.509 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -65.6 -58.94 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.099 179.081 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.669 HD12 ' CG ' ' B' ' 70' ' ' PHE . 0.8 OUTLIER -52.69 -38.3 27.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.513 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.73 -43.38 47.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.972 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.849 HG12 ' HG ' ' B' ' 35' ' ' LEU . 3.2 t -63.74 -34.12 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.615 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -79.54 -28.99 41.24 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.192 179.394 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.406 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.4 m170 -81.1 -15.92 54.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.9 -50.15 9.5 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.863 0.363 . . . . 0.0 110.031 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.818 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.66 -60.45 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.453 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.411 ' HB2' HD21 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -56.95 128.03 34.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.653 ' N ' ' HB2' ' B' ' 24' ' ' LYS . . . 122.24 46.04 0.31 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.718 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -58.44 -33.95 70.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.965 0.412 . . . . 0.0 110.491 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -128.45 28.99 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.599 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.76 -142.69 8.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.299 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -85.21 -29.94 24.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 110.893 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.653 ' HB2' ' N ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER 66.19 -166.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.331 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.444 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 14.8 t-160 -168.92 -33.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.703 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.68 157.01 20.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.419 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' B' ' 31' ' ' GLU . 3.4 mp -134.53 138.8 44.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 -178.73 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.355 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.443 ' N ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -47.11 -43.87 20.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.86 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -56.86 -50.17 73.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.646 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.797 ' O ' HD22 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -70.02 -68.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.889 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' B' ' 53' ' ' VAL . 30.5 tp -42.29 -71.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.911 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.784 ' CG ' HG11 ' B' ' 53' ' ' VAL . 75.2 mttt -42.48 -46.41 4.79 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 111.835 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.445 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -49.22 -58.47 4.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.001 -179.264 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.849 ' HG ' HG12 ' B' ' 13' ' ' VAL . 1.2 mm? -52.92 -32.58 46.33 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.936 0.398 . . . . 0.0 111.48 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 1.034 HG23 HD12 ' B' ' 40' ' ' LEU . 1.5 mt -58.97 -53.21 50.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.695 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.407 ' HB3' ' CG ' ' B' ' 46' ' ' GLU . 24.4 p30 -83.83 -8.27 59.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.448 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 5.8 t-20 -97.66 -18.49 18.85 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.967 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.493 ' OE2' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -150.08 42.38 0.85 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 1.034 HD12 HG23 ' B' ' 36' ' ' ILE . 59.6 mt -135.11 -88.09 0.36 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.852 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.29 52.3 12.29 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.782 0.325 . . . . 0.0 111.527 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -155.37 -71.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.427 ' CD2' ' HA ' ' B' ' 91' ' ' GLU . 85.8 m-85 -106.07 -51.45 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.379 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.587 ' CB ' HD13 ' B' ' 40' ' ' LEU . 2.6 mm? -100.06 34.41 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.993 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.46 104.57 0.05 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.298 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.653 ' O ' HG22 ' B' ' 47' ' ' ILE . 2.3 mt-10 59.6 20.71 9.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.181 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.661 ' HB ' HG21 ' B' ' 36' ' ' ILE . 0.6 OUTLIER 50.89 164.23 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 O-C-N 123.394 0.434 . . . . 0.0 111.554 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.627 ' H ' HG13 ' B' ' 47' ' ' ILE . 6.2 mtmt -54.77 -33.36 61.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.74 0.305 . . . . 0.0 111.185 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.511 ' O ' HG22 ' B' ' 52' ' ' VAL . 6.6 tt0 174.32 175.16 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.724 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -16.72 61.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.092 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -81.4 -40.0 24.1 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.211 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.975 ' O ' HG23 ' B' ' 56' ' ' VAL . 14.5 m -64.66 -38.34 82.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.784 HG11 ' CG ' ' B' ' 33' ' ' LYS . 73.9 t -64.66 -51.29 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.104 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.3 -32.92 18.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.255 0.55 . . . . 0.0 109.712 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.1 OUTLIER -85.3 -30.75 23.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.448 178.361 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.975 HG23 ' O ' ' B' ' 52' ' ' VAL . 54.7 t -61.23 -48.21 90.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.642 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.443 ' HE1' ' N ' ' B' ' 29' ' ' LYS . 3.8 ptp -68.2 -39.36 82.46 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -32.79 74.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.121 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.711 HG23 ' HB2' ' D' ' 8' ' ' ASN . 33.6 m -77.02 -20.24 56.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.054 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.939 HD11 ' CD1' ' B' ' 76' ' ' PHE . 7.3 mt -98.73 -17.74 18.37 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.008 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -40.66 93.26 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.108 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.5 -31.5 9.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.419 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 179.15 38.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.65 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.75 5.7 22.51 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.915 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 63.09 24.71 14.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.616 0.246 . . . . 0.0 111.25 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.71 18.32 11.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.642 -0.79 . . . . 0.0 113.053 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.26 159.52 32.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.704 0.288 . . . . 0.0 110.434 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.0 86.51 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.703 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -74.31 -175.06 2.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.971 0.415 . . . . 0.0 110.375 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.669 ' CG ' HD12 ' B' ' 11' ' ' ILE . 0.2 OUTLIER -63.19 -35.6 80.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.767 -179.517 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.594 ' HA ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -74.2 -26.32 60.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.282 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.45 ' O ' HD22 ' B' ' 60' ' ' LEU . 5.1 mm-40 -77.87 -38.46 45.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.301 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -73.44 -31.92 64.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.564 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.431 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 6.7 mmm -61.86 -60.9 2.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' B' ' 79' ' ' MET . . . -60.5 -23.61 64.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.658 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.939 ' CD1' HD11 ' B' ' 60' ' ' LEU . 20.8 t80 -67.37 -71.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.903 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 81' ' ' THR . 22.9 t -45.53 -29.96 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.128 0.49 . . . . 0.0 110.669 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.679 ' O ' HG23 ' B' ' 82' ' ' THR . . . -86.0 -44.65 12.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.947 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' B' ' 76' ' ' PHE . 0.0 OUTLIER -69.56 -41.46 75.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.325 0.583 . . . . 0.0 110.499 -179.499 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.612 HG13 ' CZ2' ' D' ' 7' ' ' TRP . 57.7 t -64.68 -42.98 96.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.766 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.586 HG23 ' O ' ' B' ' 77' ' ' VAL . 53.6 p -73.27 -49.17 29.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.679 HG23 ' O ' ' B' ' 78' ' ' ALA . 12.9 p -46.4 -31.71 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.856 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' D' ' 1' ' ' THR . . . -80.55 -68.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -53.73 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.553 ' HA ' ' HA ' ' B' ' 89' ' ' GLU . 6.2 t60 -47.33 -20.27 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.939 0.399 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.481 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 30.2 tt0 -55.12 -65.66 0.54 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.019 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.19 -13.8 6.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.799 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -95.27 -18.36 20.89 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.615 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' B' ' 85' ' ' HIS . 4.7 mt-10 59.43 109.24 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.76 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.409 ' O ' ' CD1' ' B' ' 43' ' ' PHE . 0.1 OUTLIER -99.51 -72.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.951 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.427 ' HA ' ' CD2' ' B' ' 43' ' ' PHE . 13.8 pt-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' THR . . . . . 0.529 HG22 ' CG ' ' C' ' 6' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.727 0.298 . . . . 0.0 111.314 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.45 -71.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.72 -4.75 32.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.597 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.712 ' O ' HD12 ' C' ' 5' ' ' ILE . 0.5 OUTLIER -83.23 -1.07 52.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.857 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 0.958 HD13 ' CD1' ' C' ' 7' ' ' TRP . 1.9 pp 56.92 -13.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.125 0.97 . . . . 0.0 113.31 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.567 ' H ' ' C ' ' C' ' 4' ' ' LYS . 4.2 t70 43.41 59.98 2.79 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.958 ' CD1' HD13 ' C' ' 5' ' ' ILE . 10.9 m0 -98.7 -68.99 0.78 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.713 ' HB2' HG23 ' A' ' 59' ' ' THR . 0.8 OUTLIER 159.58 -95.88 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.311 178.51 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 -39.38 8.89 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.867 HG23 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.32 -59.72 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -177.451 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.867 HD12 HG23 ' C' ' 10' ' ' ILE . 1.0 OUTLIER -94.6 -18.37 21.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.074 0.464 . . . . 0.0 110.315 179.541 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 53.1 p . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.194 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 1' ' ' THR . . . . . 0.516 HG22 ' CG ' ' D' ' 6' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.671 0.272 . . . . 0.0 111.311 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.45 -71.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.8 -4.71 32.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.543 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 0.722 ' O ' HD12 ' D' ' 5' ' ' ILE . 0.5 OUTLIER -83.32 -1.05 52.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.752 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 0.938 HD13 ' CD1' ' D' ' 7' ' ' TRP . 1.9 pp 56.94 -13.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.103 0.961 . . . . 0.0 113.362 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' D' ' 4' ' ' LYS . 4.3 t70 43.43 59.9 2.82 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.938 ' CD1' HD13 ' D' ' 5' ' ' ILE . 10.9 m0 -98.7 -68.9 0.78 Allowed 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.711 ' HB2' HG23 ' B' ' 59' ' ' THR . 0.8 OUTLIER 159.51 -95.84 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.307 178.445 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 -39.44 8.86 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.833 HG23 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.23 -59.65 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -177.474 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.881 HD22 HG12 ' D' ' 5' ' ' ILE . 1.0 OUTLIER -94.55 -18.46 21.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.045 0.45 . . . . 0.0 110.323 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 53.0 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.235 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.802 0.334 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -56.09 -23.72 35.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.73 HD23 ' CE ' ' A' ' 7' ' ' MET . 1.3 tt -66.91 -49.95 63.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -74.64 -38.47 62.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.6 mtpp -67.36 -49.65 63.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.266 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -64.02 -51.92 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.533 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.73 ' CE ' HD23 ' A' ' 3' ' ' LEU . 7.4 ptp -50.86 -49.13 59.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.682 0.277 . . . . 0.0 110.785 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 7' ' ' MET . 52.0 t -78.42 -23.64 13.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.513 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -58.02 -42.6 85.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.268 0.556 . . . . 0.0 109.838 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.571 HD12 ' HD2' ' A' ' 73' ' ' PHE . 1.5 pp -72.0 -40.29 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.765 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.714 HG12 ' O ' ' A' ' 7' ' ' MET . 3.0 mm -62.26 -43.57 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.12 -43.82 20.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.772 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.621 HG12 ' HG ' ' A' ' 35' ' ' LEU . 38.4 t -57.0 -41.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.398 178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -77.48 -27.95 52.13 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.673 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.683 ' CD2' HG22 ' A' ' 11' ' ' ILE . 24.3 m-70 -73.32 -24.52 60.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.813 0.339 . . . . 0.0 111.311 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.81 -52.25 5.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.76 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.803 ' CG ' HD11 ' A' ' 35' ' ' LEU . 5.1 m-85 -83.75 -57.88 3.03 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 14' ' ' PHE . 3.3 t -36.37 -33.81 0.05 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.0 135.44 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.078 -1.058 . . . . 0.0 113.233 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -105.55 -39.62 6.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.514 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -148.15 93.06 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.61 -147.24 16.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.614 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.57 -66.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 63.95 110.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.291 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 12.0 t-160 179.85 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.561 ' HG3' ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -111.47 156.81 21.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.725 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' A' ' 31' ' ' GLU . 4.8 mp -134.36 139.43 45.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 11.6 pttt -109.64 -178.39 3.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.243 0.544 . . . . 0.0 112.093 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.544 ' HB2' ' HE2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -45.6 -33.78 3.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.542 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -61.9 1.77 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.298 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.811 ' O ' HD22 ' A' ' 35' ' ' LEU . 3.2 mp0 -65.85 -59.13 4.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.779 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.716 HD12 ' CG1' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -41.84 -70.25 0.11 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.123 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.584 ' HG3' HG21 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -53.24 -28.26 26.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 111.339 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -60.45 -64.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.847 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.3 mm? -46.53 -32.31 3.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.999 0.428 . . . . 0.0 111.198 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.946 HG23 HD12 ' A' ' 40' ' ' LEU . 1.4 mt -53.27 -64.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.726 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.67 -7.94 59.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.716 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 4.6 t30 -86.16 -32.72 21.1 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.646 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 56.31 0.47 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.946 HD12 HG23 ' A' ' 36' ' ' ILE . 13.1 mt -119.83 57.24 0.93 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.728 178.137 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.74 80.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.048 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -178.68 -40.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.606 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -172.2 37.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.37 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -46.81 -80.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.311 -179.771 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.17 26.81 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 110.679 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.628 ' O ' HG22 ' A' ' 47' ' ' ILE . 26.2 tt0 52.86 40.22 30.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.949 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.72 ' HB ' HG21 ' A' ' 36' ' ' ILE . 0.6 OUTLIER 50.89 163.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 O-C-N 123.463 0.477 . . . . 0.0 111.083 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.833 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -53.53 -30.18 40.37 Favored 'General case' 0 C--O 1.231 0.086 0 O-C-N 121.984 -0.448 . . . . 0.0 111.572 -178.494 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER 170.31 178.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 0.0 111.29 -179.783 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -76.95 -18.26 58.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.819 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.08 -40.03 24.76 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.079 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.98 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.5 m -62.42 -44.83 99.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.716 ' CG1' HD12 ' A' ' 32' ' ' LEU . 55.7 t -67.04 -47.81 81.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.224 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.04 -37.55 46.05 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HB3' ' CG1' ' C' ' 10' ' ' ILE . 14.0 ttmt -79.51 -35.6 39.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.918 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.1 t -56.62 -55.69 18.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.019 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -32.31 70.66 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.37 -33.7 74.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.369 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.906 HG22 ' HB2' ' C' ' 8' ' ' ASN . 0.2 OUTLIER -64.64 -24.13 67.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.247 179.034 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.687 HD13 ' HB2' ' A' ' 76' ' ' PHE . 2.8 mt -106.91 -9.89 16.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.431 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -44.11 95.16 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 111.269 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.412 ' HB3' ' NE2' ' A' ' 71' ' ' GLN . 10.2 t-20 -71.22 -61.63 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.694 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.4 39.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.32 -56.64 0.87 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.232 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.24 33.46 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.28 . . . . 0.0 111.651 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 2.88 59.27 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.952 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.561 ' HB3' ' HG3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -96.25 -176.81 3.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.447 0.624 . . . . 0.0 110.46 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.587 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -112.53 86.64 2.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.444 -179.497 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 8.8 p-10 -85.66 -175.32 5.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.497 ' CE1' ' HA ' ' B' ' 86' ' ' GLU . 0.0 OUTLIER -61.06 -32.17 71.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.007 0.432 . . . . 0.0 110.758 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' HG2' ' HG2' ' A' ' 72' ' ' GLU . 8.7 pt20 -61.17 -36.12 78.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.067 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -76.74 -30.81 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.372 179.676 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' HD2' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -51.86 -50.12 61.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.377 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.579 ' HG3' HG23 ' B' ' 82' ' ' THR . 10.1 mmm -65.63 -62.63 1.4 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.499 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.47 -27.91 2.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.035 0.445 . . . . 0.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.687 ' HB2' HD13 ' A' ' 60' ' ' LEU . 48.8 t80 -74.12 -74.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.518 HG23 ' HE2' ' B' ' 7' ' ' MET . 2.2 p -54.79 -31.22 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.815 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -70.96 -50.21 37.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.333 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.8 mtm -74.54 -60.9 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.238 0.542 . . . . 0.0 111.134 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.849 HG13 ' NE1' ' C' ' 7' ' ' TRP . 62.6 t -43.08 -46.93 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.087 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 85' ' ' HIS . 1.4 t -70.1 -48.38 57.84 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.153 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.574 HG23 ' HG3' ' B' ' 74' ' ' MET . 1.2 p -51.19 -27.25 8.36 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.959 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -82.44 -67.65 0.77 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 p -86.96 -51.25 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.483 ' CB ' ' OG1' ' A' ' 81' ' ' THR . 6.6 t60 -49.54 -23.45 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.063 0.459 . . . . 0.0 110.797 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' ' CE1' ' B' ' 70' ' ' PHE . 30.5 tt0 -49.15 -64.63 0.75 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.416 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.73 -25.17 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -82.88 -15.12 52.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 3.1 mt-10 59.65 169.1 0.07 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -59.31 -42.63 91.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -56.16 -23.6 35.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.727 HD23 ' CE ' ' B' ' 7' ' ' MET . 1.3 tt -66.96 -49.95 63.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.68 -38.47 62.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 5.5 mtpp -67.27 -49.74 63.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.285 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -63.92 -51.98 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.556 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.727 ' CE ' HD23 ' B' ' 3' ' ' LEU . 7.4 ptp -50.87 -49.16 59.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.632 0.253 . . . . 0.0 110.775 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.57 HG23 ' HG3' ' B' ' 7' ' ' MET . 52.6 t -78.45 -23.53 13.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.508 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -58.12 -42.57 86.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.235 0.54 . . . . 0.0 109.784 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.577 HD12 ' HD2' ' B' ' 73' ' ' PHE . 1.5 pp -71.9 -40.41 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.79 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.705 HG12 ' O ' ' B' ' 7' ' ' MET . 2.9 mm -62.21 -43.54 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.11 -43.78 20.79 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.796 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.594 HG12 ' HG ' ' B' ' 35' ' ' LEU . 38.6 t -57.08 -41.24 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.416 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -77.47 -27.97 52.18 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.631 179.574 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.665 ' CD2' HG22 ' B' ' 11' ' ' ILE . 24.3 m-70 -73.42 -24.37 60.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.343 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.97 -52.12 5.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.702 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.795 ' CG ' HD11 ' B' ' 35' ' ' LEU . 5.2 m-85 -83.78 -57.86 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -178.038 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 14' ' ' PHE . 3.3 t -36.26 -33.92 0.05 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.56 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.92 135.93 3.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.139 -1.029 . . . . 0.0 113.213 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -106.24 -39.4 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.945 0.402 . . . . 0.0 110.467 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -148.21 92.89 2.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.63 -147.21 16.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.599 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -56.56 -66.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 63.87 110.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.372 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' B' ' 69' ' ' ASP . 12.1 t-160 179.93 -34.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.546 ' HA ' ' HB3' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -111.41 156.81 21.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.735 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' B' ' 31' ' ' GLU . 4.8 mp -134.32 139.37 45.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.823 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 11.5 pttt -109.69 -178.4 3.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.256 0.55 . . . . 0.0 112.074 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.531 ' HB2' ' HE2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -45.59 -33.78 3.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.553 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -61.87 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.807 ' O ' HD22 ' B' ' 35' ' ' LEU . 3.2 mp0 -65.88 -59.18 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.759 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.716 HD12 ' CG1' ' B' ' 53' ' ' VAL . 0.9 OUTLIER -41.75 -70.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.128 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.595 ' HD2' ' HB ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -53.32 -28.13 26.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.892 0.377 . . . . 0.0 111.346 -179.609 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.454 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -60.5 -64.13 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.838 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.807 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.3 mm? -46.57 -32.33 3.36 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.097 0.475 . . . . 0.0 111.213 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.961 HG23 HD12 ' B' ' 40' ' ' LEU . 1.4 mt -53.18 -64.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.677 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.62 -7.89 59.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.532 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 4.6 t30 -86.29 -32.64 20.97 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.672 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 56.38 0.47 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.961 HD12 HG23 ' B' ' 36' ' ' ILE . 13.0 mt -119.86 57.25 0.93 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.646 178.176 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.74 80.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -178.65 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -172.21 37.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.421 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.852 HD23 ' O ' ' B' ' 40' ' ' LEU . 0.1 OUTLIER -46.77 -80.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.371 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.16 26.73 1.55 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.847 0.356 . . . . 0.0 110.739 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.616 ' O ' HG22 ' B' ' 47' ' ' ILE . 26.3 tt0 52.9 40.26 30.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.914 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.706 ' HB ' HG21 ' B' ' 36' ' ' ILE . 0.6 OUTLIER 50.91 163.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.843 ' HB2' HG11 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -53.62 -30.06 40.88 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 122.049 -0.407 . . . . 0.0 111.582 -178.469 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.539 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.1 OUTLIER 170.28 178.41 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.107 0.479 . . . . 0.0 111.272 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.94 -18.21 58.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.797 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.05 -40.13 24.68 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.032 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 1.002 ' O ' HG23 ' B' ' 56' ' ' VAL . 26.0 m -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.716 ' CG1' HD12 ' B' ' 32' ' ' LEU . 54.9 t -66.9 -47.85 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.244 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.04 -37.51 45.79 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.441 ' HB3' ' CG1' ' D' ' 10' ' ' ILE . 14.1 ttmt -79.52 -35.6 39.77 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.241 -0.891 . . . . 0.0 108.921 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 1.002 HG23 ' O ' ' B' ' 52' ' ' VAL . 52.9 t -56.49 -55.71 17.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.066 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -32.3 70.68 Favored 'General case' 0 CA--C 1.523 -0.096 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.34 -33.62 74.63 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.465 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.914 HG22 ' HB2' ' D' ' 8' ' ' ASN . 0.2 OUTLIER -64.66 -24.09 67.47 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.269 178.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' B' ' 76' ' ' PHE . 2.8 mt -106.99 -9.93 16.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.367 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -44.09 95.08 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.912 0.387 . . . . 0.0 111.338 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASN . . . . . 0.411 ' HB3' ' NE2' ' B' ' 71' ' ' GLN . 10.2 t-20 -71.18 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.33 39.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.24 -56.5 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.254 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.2 33.28 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.684 0.278 . . . . 0.0 111.7 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.08 2.95 59.49 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.839 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.546 ' HB3' ' HG3' ' B' ' 26' ' ' LYS . 0.1 OUTLIER -96.19 -176.79 3.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 117.545 0.672 . . . . 0.0 110.411 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.585 ' CB ' HD23 ' B' ' 32' ' ' LEU . 0.1 OUTLIER -112.57 86.63 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.458 -179.612 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.546 ' HB3' ' HA ' ' B' ' 26' ' ' LYS . 8.9 p-10 -85.59 -175.34 5.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.5 ' CE1' ' HA ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -60.97 -32.25 71.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.997 0.427 . . . . 0.0 110.776 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.412 ' HG2' ' HG2' ' B' ' 72' ' ' GLU . 8.7 pt20 -61.1 -36.23 79.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.985 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.497 ' HB3' ' HB2' ' B' ' 60' ' ' LEU . 0.6 OUTLIER -76.74 -30.83 56.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.315 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.577 ' HD2' HD12 ' B' ' 10' ' ' LEU . 0.6 OUTLIER -51.93 -50.06 61.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.397 179.29 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.574 ' HG3' HG23 ' A' ' 82' ' ' THR . 10.1 mmm -65.7 -62.56 1.44 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.506 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.53 -27.91 3.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.953 0.406 . . . . 0.0 110.877 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.678 ' HB2' HD13 ' B' ' 60' ' ' LEU . 48.9 t80 -74.1 -74.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.473 HG23 ' HE2' ' A' ' 7' ' ' MET . 2.1 p -54.78 -31.11 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -71.01 -50.11 37.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.423 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.8 mtm -74.59 -60.91 2.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.162 0.506 . . . . 0.0 111.162 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.841 HG13 ' NE1' ' D' ' 7' ' ' TRP . 63.1 t -43.08 -46.89 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.123 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.471 ' OG1' ' CB ' ' B' ' 85' ' ' HIS . 1.4 t -70.14 -48.23 58.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.197 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.579 HG23 ' HG3' ' A' ' 74' ' ' MET . 1.2 p -51.34 -27.16 8.96 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.924 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -82.46 -67.67 0.77 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 8.3 p -86.92 -51.26 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.471 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 6.6 t60 -49.6 -23.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.013 0.435 . . . . 0.0 110.72 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.497 ' HA ' ' CE1' ' A' ' 70' ' ' PHE . 30.5 tt0 -49.02 -64.77 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.411 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.66 -25.18 5.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.462 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -82.84 -15.16 52.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.458 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 3.1 mt-10 59.63 169.11 0.07 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.83 0.347 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -59.35 -42.57 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' THR . . . . . 0.72 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.66 0.267 . . . . 0.0 111.337 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -57.71 -71.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.485 ' O ' HD13 ' C' ' 5' ' ' ILE . 66.9 p -98.41 -1.5 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.365 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.74 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -82.53 -2.02 52.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.923 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 0.74 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 47.2 10.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 123.445 0.698 . . . . 0.0 112.81 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.959 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 46.3 t0 53.59 17.4 1.17 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.849 ' NE1' HG13 ' A' ' 80' ' ' VAL . 19.6 m95 -71.52 -69.85 0.36 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.692 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.906 ' HB2' HG22 ' A' ' 59' ' ' THR . 6.7 m-20 146.86 -96.1 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.299 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.48 ' H ' HG23 ' A' ' 59' ' ' THR . 1.9 tmtt? -97.93 -44.2 6.78 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.676 HG23 HD12 ' C' ' 11' ' ' LEU . 0.1 OUTLIER -53.8 -58.83 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -177.634 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.676 HD12 HG23 ' C' ' 10' ' ' ILE . 2.4 mp -93.44 -15.74 25.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.919 0.39 . . . . 0.0 110.645 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 49.1 p . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.212 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 1' ' ' THR . . . . . 0.717 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.79 0.329 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -57.65 -71.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' THR . . . . . 0.488 ' O ' HD13 ' D' ' 5' ' ' ILE . 67.5 p -98.45 -1.54 41.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.345 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 0.752 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -82.53 -2.01 52.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.927 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 0.752 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 47.3 9.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.389 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.924 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 46.2 t0 53.63 17.29 1.16 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.841 ' NE1' HG13 ' B' ' 80' ' ' VAL . 19.7 m95 -71.4 -69.9 0.35 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.806 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.914 ' HB2' HG22 ' B' ' 59' ' ' THR . 6.6 m-20 146.88 -95.95 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.292 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 9' ' ' LYS . . . . . 0.495 ' H ' HG23 ' B' ' 59' ' ' THR . 1.9 tmtt? -97.99 -44.3 6.71 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.663 HG23 HD12 ' D' ' 11' ' ' LEU . 0.1 OUTLIER -53.78 -58.81 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -177.613 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.663 HD12 HG23 ' D' ' 10' ' ' ILE . 2.4 mp -93.45 -15.62 25.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 49.3 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.179 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.811 0.338 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.43 -36.09 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.212 0.529 . . . . 0.0 110.861 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.452 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 3.9 mt -59.04 -25.07 63.39 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -81.06 -46.93 14.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -76.49 -42.92 41.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.104 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -61.28 -35.94 78.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.963 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.497 ' O ' HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -61.91 -62.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.505 ' HA ' HG12 ' A' ' 11' ' ' ILE . 24.3 t -69.51 -22.09 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.751 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -58.57 -43.34 89.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.397 0.617 . . . . 0.0 109.832 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.797 HD21 ' HE1' ' A' ' 74' ' ' MET . 1.1 pp -70.43 -38.16 74.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.646 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.696 HD12 ' CE1' ' A' ' 70' ' ' PHE . 5.3 mm -62.83 -41.29 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.21 -40.92 35.42 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.419 HG12 ' HG ' ' A' ' 35' ' ' LEU . 29.9 t -57.57 -43.16 82.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.487 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.536 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -78.1 -37.29 46.75 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.368 179.474 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.495 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -68.54 -16.2 63.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.235 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.15 -51.86 6.73 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.277 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.692 ' CD1' HD11 ' A' ' 35' ' ' LEU . 5.6 m-85 -83.49 -56.32 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.376 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 14' ' ' PHE . 8.5 t -56.36 -40.73 75.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.66 51.07 4.36 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.031 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.69 -56.8 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.641 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.88 154.11 35.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.67 -139.73 14.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.624 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -23.36 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.664 0.268 . . . . 0.0 111.163 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? 63.1 37.82 11.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.56 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 1.6 t60 -155.13 41.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -166.64 155.37 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.88 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.702 HD23 ' HB3' ' A' ' 31' ' ' GLU . 3.0 mp -136.75 138.98 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.59 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -112.5 -173.43 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.183 0.516 . . . . 0.0 112.274 -178.801 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -51.34 -24.94 5.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.428 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.5 m -78.62 -55.89 4.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.943 0.401 . . . . 0.0 110.522 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.823 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -68.68 -59.97 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.124 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' A' ' 68' ' ' CYS . 1.0 OUTLIER -43.34 -69.51 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.621 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.76 ' HG3' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -48.61 -32.29 7.95 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 111.157 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -63.17 -62.77 1.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.52 -179.44 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.3 mm? -46.95 -34.16 5.27 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.039 0.447 . . . . 0.0 111.169 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.51 HG23 ' HG ' ' A' ' 40' ' ' LEU . 1.4 mt -52.28 -66.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.341 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -73.46 -17.04 61.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.574 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 16.0 t30 -71.63 -53.32 14.05 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.576 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG2' ' C ' ' A' ' 38' ' ' ASN . 8.5 mm-40 -154.85 61.49 0.66 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' HG ' HG23 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -75.96 -81.74 0.08 Allowed 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.553 179.204 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t 171.83 -72.72 0.0 OUTLIER 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.616 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' A' ' 43' ' ' PHE . 29.1 p80 -121.3 -48.68 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.739 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -93.78 53.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.496 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 44' ' ' LEU . 3.9 pp -88.98 19.18 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.68 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.86 57.54 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.523 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 47' ' ' ILE . 22.0 mt-10 55.67 43.16 28.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.704 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.805 HD13 HG13 ' A' ' 53' ' ' VAL . 7.9 tt 50.19 162.61 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.05 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.753 ' HB2' HG21 ' A' ' 52' ' ' VAL . 7.1 mtmm -43.35 -24.77 0.11 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.08 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 52' ' ' VAL . 2.5 mt-10 166.11 172.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.734 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -21.34 62.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.894 0.378 . . . . 0.0 110.506 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -80.1 -41.19 26.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.958 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.7 m -63.65 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.805 HG13 HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -65.49 -43.78 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.31 -33.1 52.02 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -86.96 -30.11 21.54 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.249 178.133 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 52' ' ' VAL . 74.3 t -64.88 -51.35 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.1 mtp -61.0 -44.99 96.62 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.87 -36.52 83.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.579 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.967 HG23 ' HB3' ' C' ' 8' ' ' ASN . 16.5 m -79.58 -15.73 57.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.959 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.806 HD12 HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -91.86 -49.98 5.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.1 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -43.94 119.0 1.6 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.717 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -90.45 -51.91 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.58 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 178.03 44.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.78 -60.7 0.88 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.054 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.0 p30 174.44 30.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.626 0.251 . . . . 0.0 111.314 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.07 -14.89 57.85 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.395 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -91.85 178.01 6.02 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.05 0.452 . . . . 0.0 110.585 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.669 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -117.98 86.2 2.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.406 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.555 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 6.0 p-10 -79.68 -168.87 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.424 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.696 ' CE1' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -63.0 -34.51 77.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.967 0.413 . . . . 0.0 110.588 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -38.12 73.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.49 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 22.3 mm-40 -75.79 -24.46 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.423 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.654 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -60.73 -65.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.728 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.797 ' HE1' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -55.75 -44.79 77.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.279 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -59.34 -40.92 87.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.208 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.733 ' HB2' HD21 ' A' ' 60' ' ' LEU . 51.4 t80 -65.23 -74.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.705 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 73' ' ' PHE . 3.4 m -44.03 -31.49 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.245 0.545 . . . . 0.0 110.65 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.476 ' HA ' ' HB3' ' B' ' 74' ' ' MET . . . -85.31 -33.43 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.145 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.506 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -85.68 -39.46 17.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.49 . . . . 0.0 111.456 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.802 HG13 ' NE1' ' C' ' 7' ' ' TRP . 27.2 t -68.54 -49.76 62.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.659 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.488 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -71.54 -51.02 25.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.1 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.551 ' HA ' ' CZ ' ' B' ' 70' ' ' PHE . 35.1 m -47.97 -30.14 4.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.679 0.276 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -72.42 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.761 0.315 . . . . 0.0 111.315 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.9 p -87.78 -49.19 7.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.488 ' HB3' ' O ' ' A' ' 81' ' ' THR . 35.5 t60 -47.34 -24.03 0.69 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.88 0.372 . . . . 0.0 110.992 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.496 ' HA ' ' CE2' ' B' ' 70' ' ' PHE . 27.9 tt0 -50.82 -65.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.758 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.89 -18.52 7.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CZ ' ' HB ' ' C' ' 3' ' ' THR . 21.9 m-85 -91.64 -12.33 34.5 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.691 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 1.9 mt-10 59.26 -176.31 0.09 Allowed 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -51.1 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.924 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.91 0.386 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -60.46 -35.94 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.267 0.555 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.424 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 3.9 mt -59.08 -25.19 63.57 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -81.05 -46.9 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -76.52 -42.94 41.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.091 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -61.26 -35.93 78.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.989 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.5 ' O ' HG12 ' B' ' 11' ' ' ILE . 1.0 OUTLIER -61.98 -62.95 1.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.425 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.49 ' HA ' HG12 ' B' ' 11' ' ' ILE . 23.9 t -69.5 -22.08 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.769 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -58.66 -43.19 89.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.397 0.618 . . . . 0.0 109.847 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.714 HD21 ' CE ' ' B' ' 74' ' ' MET . 1.1 pp -70.52 -38.22 74.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.644 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.69 HD12 ' CE1' ' B' ' 70' ' ' PHE . 5.3 mm -62.65 -41.5 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.01 -40.98 33.06 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.413 HG12 ' HG ' ' B' ' 35' ' ' LEU . 30.1 t -57.61 -43.12 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.512 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.536 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -78.17 -37.29 46.15 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.284 179.469 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.49 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -68.55 -16.21 63.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.15 -51.83 6.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.694 ' CD1' HD11 ' B' ' 35' ' ' LEU . 5.6 m-85 -83.58 -56.4 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' B' ' 14' ' ' PHE . 8.5 t -56.27 -40.8 74.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.289 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.7 51.7 4.46 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.875 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.4 -56.61 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 110.654 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.1 153.84 34.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.79 -139.79 14.89 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.607 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -23.28 61.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.638 0.256 . . . . 0.0 111.23 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? 63.07 37.73 11.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.113 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.56 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 1.6 t60 -155.1 41.79 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 0.1 OUTLIER -166.6 155.38 10.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.909 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' B' ' 31' ' ' GLU . 2.9 mp -136.69 139.06 41.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.562 179.317 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.463 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -112.6 -173.51 2.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.22 0.533 . . . . 0.0 112.219 -178.847 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -51.11 -25.11 4.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.481 -179.794 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 62.8 m -78.46 -55.99 4.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.987 0.422 . . . . 0.0 110.587 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.814 ' O ' HD22 ' B' ' 35' ' ' LEU . 0.8 OUTLIER -68.62 -60.03 2.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.096 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' B' ' 68' ' ' CYS . 1.0 OUTLIER -43.26 -69.5 0.13 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.686 -179.546 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.746 ' HG3' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -48.57 -32.46 8.11 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 111.074 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -63.04 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.5 -179.402 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.814 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.3 mm? -46.88 -34.26 5.26 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.087 0.47 . . . . 0.0 111.209 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.492 HG23 ' HG ' ' B' ' 40' ' ' LEU . 1.4 mt -52.18 -66.69 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.392 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -73.47 -17.01 61.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.624 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.451 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 16.0 t30 -71.71 -53.24 14.12 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.576 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' HG2' ' C ' ' B' ' 38' ' ' ASN . 8.6 mm-40 -154.79 61.43 0.66 Allowed 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.492 ' HG ' HG23 ' B' ' 36' ' ' ILE . 0.2 OUTLIER -75.95 -81.67 0.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.604 179.214 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t 171.85 -72.73 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.594 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' B' ' 43' ' ' PHE . 29.2 p80 -121.33 -48.67 2.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.742 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.466 ' O ' HD12 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -93.73 53.3 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.063 0.458 . . . . 0.0 110.516 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.707 ' O ' HD12 ' B' ' 44' ' ' LEU . 3.9 pp -89.09 19.31 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.65 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.87 57.58 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.938 0.399 . . . . 0.0 110.458 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' B' ' 47' ' ' ILE . 21.9 mt-10 55.66 43.19 28.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.798 HD13 HG13 ' B' ' 53' ' ' VAL . 7.9 tt 50.17 162.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.019 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.761 ' HB2' HG21 ' B' ' 52' ' ' VAL . 7.1 mtmm -43.39 -24.75 0.11 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.497 ' O ' HG22 ' B' ' 52' ' ' VAL . 2.5 mt-10 166.1 172.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.319 . . . . 0.0 110.665 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -21.24 62.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.534 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -80.21 -41.19 25.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.95 ' O ' HG23 ' B' ' 56' ' ' VAL . 13.6 m -63.67 -40.13 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.798 HG13 HD13 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -65.46 -43.87 94.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.842 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.29 -33.03 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -87.06 -30.14 21.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.233 178.103 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.95 HG23 ' O ' ' B' ' 52' ' ' VAL . 75.0 t -64.75 -51.46 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.374 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 26.0 mtp -60.88 -45.04 96.14 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.73 -36.69 83.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.562 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.949 HG23 ' CB ' ' D' ' 8' ' ' ASN . 16.5 m -79.47 -15.78 57.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.923 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.797 HD12 HG12 ' B' ' 56' ' ' VAL . 0.3 OUTLIER -91.89 -49.99 5.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.057 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -43.95 119.02 1.6 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.689 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -90.46 -51.83 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.648 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.99 44.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.4 ' HA3' ' HZ1' ' B' ' 26' ' ' LYS . . . -98.85 -60.71 0.88 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.043 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.9 p30 174.43 31.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.544 0.211 . . . . 0.0 111.18 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.11 -14.96 57.72 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.314 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.463 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -91.86 178.08 6.0 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 117.126 0.463 . . . . 0.0 110.626 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.669 ' HB3' HD23 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -118.06 86.13 2.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.387 179.697 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.558 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 6.0 p-10 -79.57 -168.84 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.69 ' CE1' HD12 ' B' ' 11' ' ' ILE . 0.6 OUTLIER -63.04 -34.5 77.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.914 0.388 . . . . 0.0 110.572 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -38.17 73.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.414 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.433 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 22.3 mm-40 -75.77 -24.35 56.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.362 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -60.84 -65.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.745 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.714 ' CE ' HD21 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -55.72 -44.78 77.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.252 -179.697 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -59.47 -40.88 88.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.182 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.743 ' HB2' HD21 ' B' ' 60' ' ' LEU . 51.5 t80 -65.26 -74.76 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.65 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 73' ' ' PHE . 3.4 m -44.1 -31.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 121.194 0.521 . . . . 0.0 110.579 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.462 ' HA ' ' HB3' ' A' ' 74' ' ' MET . . . -85.3 -33.45 22.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.159 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER -85.77 -39.41 17.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 111.361 -179.36 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.803 HG13 ' NE1' ' D' ' 7' ' ' TRP . 27.9 t -68.61 -49.7 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.619 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -71.53 -50.99 25.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.054 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 70' ' ' PHE . 36.0 m -48.07 -30.0 4.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.717 0.294 . . . . 0.0 111.032 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.46 -72.32 0.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.27 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.8 p -87.88 -49.16 7.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' B' ' 81' ' ' THR . 35.7 t60 -47.3 -23.98 0.67 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 111.031 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.496 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 27.9 tt0 -50.92 -65.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.814 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.01 -18.48 6.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.471 ' CZ ' ' HB ' ' D' ' 3' ' ' THR . 21.9 m-85 -91.64 -12.36 34.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.683 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.454 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 1.9 mt-10 59.26 -176.34 0.09 Allowed 'General case' 0 CA--C 1.526 0.034 0 CA-C-O 120.859 0.362 . . . . 0.0 110.838 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.13 -51.03 2.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.866 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' THR . . . . . 0.45 HG22 ' CG ' ' C' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.772 0.32 . . . . 0.0 111.209 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -56.82 -71.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.698 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 88' ' ' PHE . 3.9 t -98.32 -3.33 37.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.451 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.762 ' O ' HD12 ' C' ' 5' ' ' ILE . 4.8 tmtt? -80.55 -1.51 42.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.075 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 0.958 HD13 ' CD1' ' C' ' 7' ' ' TRP . 1.8 pp 55.09 -8.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' C' ' 4' ' ' LYS . 13.3 t0 39.94 57.23 2.35 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.958 ' CD1' HD13 ' C' ' 5' ' ' ILE . 8.6 m95 -93.86 -69.07 0.77 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.967 ' HB3' HG23 ' A' ' 59' ' ' THR . 18.3 t-20 165.15 -103.26 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.05 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.93 -34.18 10.55 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.862 HG23 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.47 -60.04 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -177.925 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.862 HD12 HG23 ' C' ' 10' ' ' ILE . 1.0 OUTLIER -95.31 -22.84 17.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.164 0.507 . . . . 0.0 110.11 179.441 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 20.7 p . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.023 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' THR . . . . . 0.441 HG22 ' CG ' ' D' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.741 0.305 . . . . 0.0 111.179 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -56.67 -71.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.757 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' THR . . . . . 0.471 ' HB ' ' CZ ' ' B' ' 88' ' ' PHE . 3.9 t -98.36 -3.31 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.41 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 0.774 ' O ' HD12 ' D' ' 5' ' ' ILE . 4.8 tmtt? -80.52 -1.59 42.52 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.032 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 0.948 HD13 ' CD1' ' D' ' 7' ' ' TRP . 1.8 pp 55.12 -8.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -179.097 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' D' ' 4' ' ' LYS . 13.4 t0 40.03 57.22 2.4 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.948 ' CD1' HD13 ' D' ' 5' ' ' ILE . 8.6 m95 -93.85 -69.06 0.77 Allowed 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.949 ' CB ' HG23 ' B' ' 59' ' ' THR . 18.3 t-20 165.18 -103.35 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.95 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.76 -34.21 10.6 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.891 HG23 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.47 -59.99 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.89 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.891 HD12 HG23 ' D' ' 10' ' ' ILE . 1.0 OUTLIER -95.38 -22.83 17.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.184 0.516 . . . . 0.0 110.099 179.555 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 20.4 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.065 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.768 0.318 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.702 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.7 OUTLIER -55.67 -37.3 68.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.144 0.497 . . . . 0.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.465 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 2.0 mp -53.68 -36.58 62.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.974 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.83 -35.45 67.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.749 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -77.23 -37.64 52.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.28 80.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.554 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -67.2 -50.56 60.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.573 ' HA ' HG13 ' A' ' 11' ' ' ILE . 22.0 t -76.22 -27.39 17.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.691 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.731 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -56.96 -42.46 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 109.27 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.93 -53.4 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.325 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.573 HG13 ' HA ' ' A' ' 8' ' ' VAL . 1.4 mt -51.53 -53.61 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.98 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' OD2' HG12 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -42.42 -37.64 1.65 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.051 0.453 . . . . 0.0 110.358 179.729 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.729 HG12 HD11 ' A' ' 35' ' ' LEU . 38.4 t -67.44 -48.28 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.539 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.607 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -76.15 -25.99 55.83 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.775 0.322 . . . . 0.0 111.115 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -81.01 -18.17 47.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.17 -179.71 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -83.59 -41.57 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.307 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.469 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 2.0 m-85 -83.07 -70.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.531 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 1.2 t -59.49 125.73 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.84 -28.8 3.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.369 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -67.51 -40.18 85.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.5 -67.6 0.43 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.73 -41.46 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.2 -49.41 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 1.1 tmtp? 60.39 157.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.447 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 12.8 t-160 83.48 -36.03 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.708 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.98 163.67 13.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.81 0.338 . . . . 0.0 110.391 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 4.9 mp -136.31 141.08 43.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.549 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -102.64 174.36 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.959 0.409 . . . . 0.0 111.617 -179.225 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 2.2 mttt -48.76 -27.83 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.756 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 1.9 m -79.57 -47.9 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.733 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HB3' HD23 ' A' ' 27' ' ' LEU . 5.9 mm-40 -62.74 -68.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.314 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.96 -68.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.893 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.913 ' HG3' HG11 ' A' ' 53' ' ' VAL . 12.6 ttmt -44.98 -66.41 0.4 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.926 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 30' ' ' SER . 11.9 mm-40 -46.74 -43.12 17.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.729 HD11 HG12 ' A' ' 13' ' ' VAL . 1.2 tt -60.38 -45.45 93.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.275 0.56 . . . . 0.0 110.378 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.103 HD13 HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -54.7 -58.16 4.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.084 179.624 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' N ' HG22 ' A' ' 36' ' ' ILE . 2.9 t-20 -61.03 -20.11 62.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.239 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -82.92 -34.21 26.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.028 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -114.49 21.34 14.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.639 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.706 HD12 HG23 ' A' ' 36' ' ' ILE . 28.0 mt -149.72 -73.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.44 -81.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.591 ' O ' HD23 ' A' ' 44' ' ' LEU . 1.8 m-70 -74.9 -32.73 61.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 0.0 110.73 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -83.6 58.86 4.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.687 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -87.72 85.83 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.824 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -97.05 -31.24 12.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.052 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -113.82 1.34 14.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.73 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.103 HD12 HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -133.0 77.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.278 179.762 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -82.76 2.58 33.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.728 179.24 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.689 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -177.15 173.97 1.73 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.468 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.41 -34.81 58.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.994 0.425 . . . . 0.0 110.667 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.27 -41.85 80.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.276 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.941 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.2 m -61.19 -44.74 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.159 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.073 HG22 HG22 ' A' ' 47' ' ' ILE . 2.0 t -52.8 -49.01 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.8 0.333 . . . . 0.0 110.667 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -52.05 -48.36 64.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.092 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HB3' HG12 ' C' ' 10' ' ' ILE . 22.9 ttmt -68.76 -31.84 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.719 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 52' ' ' VAL . 93.1 t -63.64 -59.13 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.935 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.411 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -57.66 -24.02 54.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.015 0.436 . . . . 0.0 110.001 178.826 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -37.83 28.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.402 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.678 HG23 ' H ' ' C' ' 9' ' ' LYS . 26.2 m -74.06 -7.36 52.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.089 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.568 HD11 HG12 ' A' ' 56' ' ' VAL . 1.5 mt -113.0 -12.55 13.21 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.74 125.83 10.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.733 0.302 . . . . 0.0 110.594 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.28 -51.66 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.252 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.95 44.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.905 0.383 . . . . 0.0 111.148 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA2' ' HD3' ' A' ' 26' ' ' LYS . . . -114.95 7.66 21.62 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.366 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.56 24.59 13.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.926 0.393 . . . . 0.0 110.481 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.88 -20.2 5.74 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.356 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -90.93 -179.83 5.58 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.023 0.439 . . . . 0.0 110.456 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.45 ' CB ' ' HG2' ' A' ' 72' ' ' GLU . 1.7 m -120.92 104.44 9.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.708 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -94.68 -176.97 4.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.322 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.543 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 29.9 t80 -58.94 -18.97 38.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.243 0.545 . . . . 0.0 110.494 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.91 -41.57 97.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.73 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 1.5 pp20? -78.2 -21.06 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.414 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.84 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -55.78 -51.84 66.03 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.587 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.461 ' HB3' ' CB ' ' B' ' 78' ' ' ALA . 21.0 mmt -63.48 -53.39 52.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.1 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.23 -33.45 65.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.67 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HA ' HD22 ' A' ' 60' ' ' LEU . 57.7 t80 -65.85 -75.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -52.26 -26.01 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.039 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' B' ' 74' ' ' MET . . . -82.59 -46.36 13.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.9 mtm -70.62 -54.0 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 0.0 110.575 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.65 HG22 ' CD2' ' C' ' 7' ' ' TRP . 85.7 t -56.04 -42.06 70.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.985 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.767 HG23 ' CG ' ' A' ' 85' ' ' HIS . 3.4 m -65.97 -60.96 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.601 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -42.94 -29.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.599 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -77.4 -72.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.409 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 4.5 p -89.38 -56.01 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.767 ' CG ' HG23 ' A' ' 81' ' ' THR . 28.3 t-80 -43.4 -26.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.118 0.485 . . . . 0.0 110.957 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -49.73 -64.08 0.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.553 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.15 -26.36 8.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.788 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.525 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 0.8 OUTLIER -67.33 -21.18 65.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.561 179.463 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.51 ' HB2' ' HA ' ' A' ' 85' ' ' HIS . 25.5 tp10 -104.46 92.57 4.37 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.878 0.37 . . . . 0.0 110.9 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.53 -56.29 2.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.845 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.725 0.298 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.731 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.7 OUTLIER -55.66 -37.23 68.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.06 0.457 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.463 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 2.0 mp -53.7 -36.6 62.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.81 -35.49 67.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.734 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -77.25 -37.69 52.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.22 80.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.551 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -67.17 -50.77 59.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.568 ' HA ' HG13 ' B' ' 11' ' ' ILE . 22.0 t -76.13 -27.37 17.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.691 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -56.92 -42.42 79.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.61 0.719 . . . . 0.0 109.246 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.12 -53.25 52.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.29 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.568 HG13 ' HA ' ' B' ' 8' ' ' VAL . 1.4 mt -51.53 -53.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.968 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.427 ' OD2' HG12 ' B' ' 8' ' ' VAL . 0.7 OUTLIER -42.31 -37.72 1.61 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.055 0.455 . . . . 0.0 110.327 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.751 HG12 HD11 ' B' ' 35' ' ' LEU . 38.3 t -67.52 -48.14 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.517 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.61 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -76.29 -25.94 55.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 111.097 -179.786 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -81.02 -18.16 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.208 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 9.0 mm100 -83.62 -41.52 17.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 110.352 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.463 ' CE1' ' HG ' ' B' ' 35' ' ' LEU . 2.0 m-85 -83.12 -70.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.17 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.53 ' HB2' ' HG ' ' B' ' 27' ' ' LEU . 1.2 t -59.53 125.75 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.968 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.8 -28.74 3.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.44 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -67.48 -40.13 85.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.54 -67.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.66 -41.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.2 -49.34 77.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' B' ' 25' ' ' HIS . 1.1 tmtp? 60.25 157.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.45 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 12.8 t-160 83.5 -36.02 0.07 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.517 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.69 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.0 163.67 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.341 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.53 ' HG ' ' HB2' ' B' ' 18' ' ' SER . 4.9 mp -136.26 141.18 43.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.528 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.2 OUTLIER -102.79 174.3 5.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.958 0.409 . . . . 0.0 111.567 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 2.2 mttt -48.62 -27.82 3.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.806 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.417 ' O ' ' CG ' ' B' ' 34' ' ' GLU . 1.9 m -79.6 -47.93 14.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.723 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.501 ' HB3' HD23 ' B' ' 27' ' ' LEU . 5.9 mm-40 -62.78 -68.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 111.273 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.92 -68.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.879 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.892 ' HG3' HG11 ' B' ' 53' ' ' VAL . 12.7 ttmt -44.98 -66.3 0.42 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.921 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.417 ' CG ' ' O ' ' B' ' 30' ' ' SER . 12.0 mm-40 -46.89 -43.0 18.43 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.887 0.375 . . . . 0.0 110.949 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.751 HD11 HG12 ' B' ' 13' ' ' VAL . 1.2 tt -60.47 -45.41 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.353 0.597 . . . . 0.0 110.387 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 1.08 HD13 HD12 ' B' ' 47' ' ' ILE . 0.9 OUTLIER -54.69 -58.24 4.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.055 179.572 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.439 ' N ' HG22 ' B' ' 36' ' ' ILE . 2.9 t-20 -61.03 -19.98 62.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.306 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -82.99 -34.11 26.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.034 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.58 21.36 14.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.633 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.701 HD12 HG23 ' B' ' 36' ' ' ILE . 27.8 mt -149.75 -73.44 0.17 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.76 0.314 . . . . 0.0 110.84 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.57 -81.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.601 ' O ' HD23 ' B' ' 44' ' ' LEU . 1.8 m-70 -74.77 -32.75 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -83.54 58.9 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.601 HD23 ' O ' ' B' ' 42' ' ' HIS . 0.4 OUTLIER -87.72 85.95 7.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.769 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -97.21 -31.36 12.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -113.73 1.35 14.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.746 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 1.08 HD12 HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -132.96 77.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.302 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.406 ' HG2' HG11 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -82.74 2.6 33.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.772 179.226 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.694 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.5 OUTLIER -177.21 173.93 1.71 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.386 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.36 -34.81 58.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 110.661 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.33 -41.81 80.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.304 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.933 ' O ' HG23 ' B' ' 56' ' ' VAL . 24.8 m -61.21 -44.83 99.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.078 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 1.007 HG22 HG22 ' B' ' 47' ' ' ILE . 2.0 t -52.79 -49.06 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.746 0.308 . . . . 0.0 110.7 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -51.93 -48.31 64.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.911 0.386 . . . . 0.0 110.191 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.42 ' HB3' HG12 ' D' ' 10' ' ' ILE . 22.9 ttmt -68.71 -31.94 71.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.734 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.933 HG23 ' O ' ' B' ' 52' ' ' VAL . 92.9 t -63.6 -59.23 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.833 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.404 ' HA ' HD12 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -57.64 -24.01 54.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.031 0.443 . . . . 0.0 110.029 178.884 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.97 -37.67 28.93 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.399 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.684 HG23 ' H ' ' D' ' 9' ' ' LYS . 26.2 m -74.12 -7.39 52.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.115 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.582 HD11 HG12 ' B' ' 56' ' ' VAL . 1.6 mt -113.01 -12.48 13.22 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.77 125.83 10.87 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.742 0.306 . . . . 0.0 110.66 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.25 -51.62 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.309 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.93 44.72 0.58 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.148 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.421 ' HA2' ' HD3' ' B' ' 26' ' ' LYS . . . -115.03 7.52 21.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.324 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.71 24.47 13.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.442 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.85 -20.07 5.76 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.342 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.457 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -90.96 -179.92 5.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.01 0.433 . . . . 0.0 110.44 179.715 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.443 ' CB ' ' HG2' ' B' ' 72' ' ' GLU . 1.7 m -120.81 104.43 9.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.65 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.69 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -94.78 -176.9 4.01 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.366 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.533 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 30.1 t80 -59.15 -18.74 38.79 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.205 0.526 . . . . 0.0 110.449 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -64.1 -41.54 97.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 1.5 pp20? -78.07 -21.22 50.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.844 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -55.66 -51.96 65.48 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.611 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.458 ' HB3' ' CB ' ' A' ' 78' ' ' ALA . 20.8 mmt -63.36 -53.43 52.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.159 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.36 65.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.744 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.473 ' HA ' HD22 ' B' ' 60' ' ' LEU . 58.3 t80 -65.82 -75.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.512 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.844 HG22 ' O ' ' B' ' 73' ' ' PHE . 0.9 OUTLIER -52.29 -26.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.993 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -82.49 -46.26 13.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.0 mtm -70.63 -53.99 13.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.167 0.508 . . . . 0.0 110.554 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.649 HG22 ' CD2' ' D' ' 7' ' ' TRP . 85.3 t -56.09 -42.05 71.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.921 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.769 HG23 ' CG ' ' B' ' 85' ' ' HIS . 3.3 m -65.93 -61.06 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.53 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -42.89 -29.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.646 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -77.46 -72.3 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.34 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.52 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 4.5 p -89.34 -56.08 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.769 ' CG ' HG23 ' B' ' 81' ' ' THR . 28.6 t-80 -43.29 -26.4 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.113 0.482 . . . . 0.0 110.964 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -49.75 -64.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.514 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.17 -26.24 8.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.735 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 0.8 OUTLIER -67.39 -21.1 65.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.559 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.512 ' HB2' ' HA ' ' B' ' 85' ' ' HIS . 25.4 tp10 -104.53 92.49 4.32 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.923 0.392 . . . . 0.0 110.956 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.53 -56.28 2.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.818 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.604 0.24 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ARG . . . . . 0.487 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -52.61 -71.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.58 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -98.72 1.78 46.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.141 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 1.023 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -81.45 -1.86 47.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.035 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 1.023 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 32.63 39.54 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 121.461 0.648 . . . . 0.0 111.16 -179.283 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' C' ' 12' ' ' SER . 31.0 t0 -57.52 81.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.875 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.65 ' CD2' HG22 ' A' ' 80' ' ' VAL . 34.8 m0 -71.7 -54.71 9.44 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' C' ' 12' ' ' SER . 17.6 t-20 172.35 -82.57 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.444 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.678 ' H ' HG23 ' A' ' 59' ' ' THR . 0.9 OUTLIER -97.95 -55.54 2.76 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.562 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.594 HG23 ' CD2' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.04 -59.63 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -177.661 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.594 ' CD2' HG23 ' C' ' 10' ' ' ILE . 4.0 mm? -87.35 -11.7 48.59 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.192 0.52 . . . . 0.0 109.854 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.515 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 19.9 p . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.043 -0.98 . . . . 0.0 111.392 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.661 0.267 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ARG . . . . . 0.493 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -52.61 -71.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.56 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -98.73 1.77 46.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 1.008 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -81.36 -2.04 47.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.016 179.774 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 1.008 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 32.72 39.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 121.394 0.616 . . . . 0.0 111.165 -179.214 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.436 ' HB2' ' HD3' ' D' ' 4' ' ' LYS . 31.0 t0 -57.57 82.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.843 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.649 ' CD2' HG22 ' B' ' 80' ' ' VAL . 34.8 m0 -71.7 -54.69 9.5 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' D' ' 12' ' ' SER . 17.5 t-20 172.23 -82.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.429 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 9' ' ' LYS . . . . . 0.684 ' H ' HG23 ' B' ' 59' ' ' THR . 0.9 OUTLIER -97.85 -55.59 2.75 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.594 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.587 HG23 ' CD2' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.1 -59.58 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.594 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.588 HD12 ' CG1' ' D' ' 5' ' ' ILE . 4.0 mm? -87.34 -11.75 48.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.214 0.53 . . . . 0.0 109.776 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 19.6 p . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.068 -0.968 . . . . 0.0 111.4 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.863 0.363 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.516 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 1.7 mt-10 -58.62 -23.15 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 1.032 HD13 HD21 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -72.96 -25.8 61.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.08 -47.32 15.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -69.88 -49.78 48.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.154 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -55.75 -37.85 69.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 0.0 111.242 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -68.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 110.402 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.527 HG12 ' OD1' ' A' ' 12' ' ' ASP . 20.0 t -65.96 -25.36 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.839 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -51.3 -43.3 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.088 0.47 . . . . 0.0 110.409 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.724 HD13 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -73.47 -47.32 42.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.26 179.256 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.476 HG22 ' ND1' ' A' ' 15' ' ' HIS . 6.9 mm -54.4 -50.64 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.178 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ASP . . . . . 0.527 ' OD1' HG12 ' A' ' 8' ' ' VAL . 1.1 m-20 -51.42 -52.34 46.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.432 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 9' ' ' ALA . 21.7 t -45.48 -48.2 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.855 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.82 ' CD2' HD13 ' A' ' 27' ' ' LEU . 2.6 m-30 -81.24 -33.28 32.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 110.473 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.476 ' ND1' HG22 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -66.26 -22.89 66.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.034 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 17' ' ' TYR . 8.4 pt20 -84.47 -44.11 13.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.7 0.286 . . . . 0.0 110.811 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.734 ' CG ' HD11 ' A' ' 35' ' ' LEU . 3.6 m-85 -83.18 -50.94 7.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.387 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 27' ' ' LEU . 10.2 t -58.97 -49.18 78.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.227 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.57 -21.57 28.69 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.985 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -54.98 -56.75 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.713 0.292 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.94 114.46 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.65 -158.61 23.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.596 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 25.7 t70 -74.43 -7.61 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.504 0.192 . . . . 0.0 111.416 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 17.5 tttt 69.29 13.96 8.54 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.676 0.274 . . . . 0.0 111.353 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 69' ' ' ASP . 15.9 t-160 -125.09 -36.96 2.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.687 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.81 160.67 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.13 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.834 HD23 ' HB3' ' A' ' 31' ' ' GLU . 5.7 mp -135.26 141.72 45.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.918 0.39 . . . . 0.0 110.739 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 7.2 ptmt -93.04 -178.94 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.775 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 4.9 mptt -51.33 -27.73 10.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.366 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.08 -41.15 18.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.057 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.834 ' HB3' HD23 ' A' ' 27' ' ' LEU . 21.6 mt-10 -75.73 -56.83 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.497 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.573 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.0 tm? -50.05 -59.9 3.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.899 0.38 . . . . 0.0 111.467 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.701 ' CG ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -58.08 -32.14 67.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 -179.511 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -53.46 -50.28 65.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.073 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.734 HD11 ' CG ' ' A' ' 17' ' ' TYR . 1.6 mm? -65.09 -30.87 71.86 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.816 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 1.018 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.6 mt -60.96 -48.17 90.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.334 0.588 . . . . 0.0 109.579 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.07 -10.28 58.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.615 178.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.482 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 9.3 t-20 -92.99 -34.67 13.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.589 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.616 ' O ' HD23 ' A' ' 40' ' ' LEU . 48.9 mt-10 -156.03 46.57 0.47 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.127 HD21 HD13 ' B' ' 3' ' ' LEU . 85.0 mt -150.8 87.77 1.44 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 110.585 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 p -131.97 27.05 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -122.74 -76.79 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.715 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.55 -64.28 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD22 HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -62.11 -21.87 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.738 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 61.69 28.43 17.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 54.92 63.59 2.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.851 ' CG2' HG22 ' A' ' 53' ' ' VAL . 12.7 pt 39.51 92.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.776 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -48.81 -27.96 3.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.579 -179.526 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.775 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -164.22 -178.52 5.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.556 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.61 -34.02 58.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.043 0.449 . . . . 0.0 110.276 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.19 -42.08 76.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.058 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.2 m -60.61 -43.81 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.673 0.273 . . . . 0.0 110.805 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.911 ' HA ' HG12 ' A' ' 56' ' ' VAL . 2.7 t -53.02 -68.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.706 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 3.5 t0 -43.53 -32.15 0.86 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HB3' HG12 ' C' ' 10' ' ' ILE . 18.1 ttmt -84.37 -40.72 17.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.897 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.911 HG12 ' HA ' ' A' ' 53' ' ' VAL . 11.2 p -70.77 -35.36 60.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.692 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -77.16 -26.73 53.3 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 17.5 mt-10 -79.79 -38.41 33.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.937 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.808 HG23 ' H ' ' C' ' 9' ' ' LYS . 43.2 m -57.52 -21.41 37.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.525 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.758 HD21 ' CD1' ' A' ' 76' ' ' PHE . 1.5 mt -92.18 -24.13 19.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.821 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.81 107.93 0.2 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -128.74 -45.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -156.22 41.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 7.72 54.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.714 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.35 27.23 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.89 23.78 11.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.664 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -141.65 177.59 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.354 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.43 ' HB2' ' HE2' ' A' ' 57' ' ' MET . 0.2 OUTLIER -112.04 88.85 2.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.687 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -78.9 -173.0 3.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.618 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.558 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.21 -23.05 61.19 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.09 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 1.2 pt20 -69.87 -30.3 67.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 0.0 110.676 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' HB3' ' HB3' ' A' ' 60' ' ' LEU . 2.1 mt-10 -70.61 -38.37 73.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -77.29 -20.47 54.98 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.307 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.724 ' SD ' HD13 ' A' ' 10' ' ' LEU . 12.7 mmm -68.72 -42.68 77.32 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -72.83 -26.06 61.35 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.763 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.8 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 45.4 t80 -64.1 -70.0 0.25 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.49 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.477 ' O ' ' HB ' ' A' ' 81' ' ' THR . 1.4 p -48.23 -29.56 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 121.177 0.513 . . . . 0.0 110.381 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -84.68 -35.63 22.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.163 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.8 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 6.0 ptp -81.81 -44.44 16.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.029 0.442 . . . . 0.0 111.237 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.738 HG13 ' NE1' ' C' ' 7' ' ' TRP . 93.0 t -68.15 -40.79 83.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.34 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.691 ' HA ' ' HB2' ' A' ' 85' ' ' HIS . 6.4 t -63.55 -49.67 72.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.196 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.448 ' N ' HG23 ' A' ' 81' ' ' THR . 62.5 m -51.85 -39.3 58.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.091 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -65.98 -72.5 0.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.714 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' C' ' 2' ' ' ARG . 0.0 OUTLIER -88.7 -55.85 3.54 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.003 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 7.1 t60 -43.62 -24.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.803 0.335 . . . . 0.0 111.49 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.7 tm-20 -43.83 -63.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.762 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.85 -5.89 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.72 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.834 ' CZ ' HG23 ' C' ' 3' ' ' THR . 35.3 m-85 -96.23 -9.76 29.65 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.874 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.472 ' HB3' ' CG ' ' A' ' 85' ' ' HIS . 1.8 pp20? -47.41 148.15 1.44 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.752 0.31 . . . . 0.0 111.18 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -179.28 -47.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.896 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.512 ' HG2' ' HB1' ' A' ' 9' ' ' ALA . 1.7 mt-10 -58.62 -23.14 58.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.25 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 1.127 HD13 HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -72.96 -25.88 61.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.873 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -47.32 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -69.84 -49.85 48.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.109 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -55.64 -37.99 68.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 111.2 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -68.34 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.37 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.537 HG12 ' OD1' ' B' ' 12' ' ' ASP . 19.7 t -65.9 -25.46 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.896 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.751 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -51.31 -43.28 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.001 0.429 . . . . 0.0 110.366 179.464 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.716 HD13 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -73.54 -47.33 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.192 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.487 HG22 ' ND1' ' B' ' 15' ' ' HIS . 7.0 mm -54.47 -50.52 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ASP . . . . . 0.537 ' OD1' HG12 ' B' ' 8' ' ' VAL . 1.1 m-20 -51.43 -52.34 47.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.445 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.751 HG23 ' O ' ' B' ' 9' ' ' ALA . 21.7 t -45.52 -48.16 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.839 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.813 ' CD2' HD13 ' B' ' 27' ' ' LEU . 2.6 m-30 -81.23 -33.27 32.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.487 ' ND1' HG22 ' B' ' 11' ' ' ILE . 1.0 OUTLIER -66.29 -22.85 66.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.971 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 16' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' B' ' 17' ' ' TYR . 8.5 pt20 -84.46 -44.08 14.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.736 ' CG ' HD11 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.28 -50.87 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.347 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.503 ' HB2' HD11 ' B' ' 27' ' ' LEU . 10.3 t -59.08 -49.08 79.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.198 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.69 -21.49 29.15 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.01 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -54.95 -56.73 16.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 111.182 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.93 114.48 7.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.6 -158.67 23.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.645 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' B' ' 24' ' ' LYS . 25.6 t70 -74.3 -7.67 53.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.485 0.183 . . . . 0.0 111.436 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' B' ' 23' ' ' ASP . 17.5 tttt 69.28 13.93 8.55 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.723 0.297 . . . . 0.0 111.352 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.404 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 15.9 t-160 -125.03 -36.96 2.48 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.681 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.82 160.58 16.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.14 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.832 HD23 ' HB3' ' B' ' 31' ' ' GLU . 5.7 mp -135.21 141.76 45.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.801 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.413 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 7.2 ptmt -93.01 -179.02 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.809 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 4.9 mptt -51.19 -27.81 9.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.393 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -41.15 19.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.073 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.832 ' HB3' HD23 ' B' ' 27' ' ' LEU . 21.6 mt-10 -75.8 -56.84 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.455 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.577 HD13 ' C ' ' B' ' 32' ' ' LEU . 3.0 tm? -50.12 -59.87 3.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 0.0 111.43 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.7 ' CG ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -58.13 -32.12 67.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.295 -179.487 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -53.35 -50.34 65.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.736 HD11 ' CG ' ' B' ' 17' ' ' TYR . 1.6 mm? -65.14 -30.77 71.73 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.013 0.435 . . . . 0.0 110.838 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 1.004 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.6 mt -60.98 -48.23 89.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.359 0.6 . . . . 0.0 109.613 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -83.04 -10.32 58.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.579 178.812 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.476 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 9.2 t-20 -92.99 -34.66 13.64 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.64 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.624 ' O ' HD23 ' B' ' 40' ' ' LEU . 49.0 mt-10 -156.01 46.64 0.47 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 1.032 HD21 HD13 ' A' ' 3' ' ' LEU . 84.7 mt -150.88 87.72 1.43 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.5 p -131.99 27.12 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.021 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -122.8 -76.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.693 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.53 -64.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.54 HD22 HD13 ' B' ' 36' ' ' ILE . 0.1 OUTLIER -61.99 -21.91 65.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.8 179.528 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 61.85 28.27 17.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 54.89 63.71 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.773 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.839 ' CG2' HG22 ' B' ' 53' ' ' VAL . 12.6 pt 39.47 92.86 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.717 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.85 -27.88 3.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.645 -179.544 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.785 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -164.28 -178.53 5.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.586 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.61 -33.96 58.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.092 0.473 . . . . 0.0 110.326 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.17 -42.11 76.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.081 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.502 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.2 m -60.66 -43.91 95.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.711 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.892 ' HA ' HG12 ' B' ' 56' ' ' VAL . 2.7 t -52.87 -68.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.717 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 3.5 t0 -43.54 -32.19 0.87 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.473 ' HB3' HG12 ' D' ' 10' ' ' ILE . 18.0 ttmt -84.34 -40.66 17.64 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.956 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.892 HG12 ' HA ' ' B' ' 53' ' ' VAL . 11.2 p -70.84 -35.25 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.685 ' HA ' HD12 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -77.25 -26.66 52.77 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.88 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 17.6 mt-10 -79.79 -38.34 33.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.0 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.789 HG23 ' H ' ' D' ' 9' ' ' LYS . 42.3 m -57.66 -21.34 39.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.49 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.751 HD21 ' CD1' ' B' ' 76' ' ' PHE . 1.5 mt -92.14 -24.22 19.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.93 107.99 0.21 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -128.68 -45.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -156.24 41.1 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.758 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 7.68 54.52 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.76 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.41 27.26 16.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.812 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.83 23.73 11.49 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.741 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.413 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -141.63 177.51 8.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.352 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.434 ' HB2' ' HE2' ' B' ' 57' ' ' MET . 0.2 OUTLIER -111.93 88.68 2.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.031 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.681 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -78.92 -173.02 3.33 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.745 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.565 ' HA ' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -72.12 -23.06 61.26 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.163 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 1.2 pt20 -69.81 -30.39 67.9 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.705 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.449 ' HB3' ' HB3' ' B' ' 60' ' ' LEU . 2.1 mt-10 -70.58 -38.3 74.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -77.38 -20.44 54.72 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.252 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.716 ' SD ' HD13 ' B' ' 10' ' ' LEU . 12.8 mmm -68.69 -42.68 77.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.014 0.435 . . . . 0.0 109.977 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -72.83 -26.15 61.38 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.675 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.79 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 45.2 t80 -64.06 -69.91 0.25 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.534 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.484 ' O ' ' HB ' ' B' ' 81' ' ' THR . 1.4 p -48.33 -29.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.248 0.547 . . . . 0.0 110.363 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -84.66 -35.58 22.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.132 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.79 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 6.0 ptp -81.8 -44.5 16.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.051 0.453 . . . . 0.0 111.239 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.738 HG13 ' NE1' ' D' ' 7' ' ' TRP . 91.9 t -68.09 -40.83 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.28 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.683 ' HA ' ' HB2' ' B' ' 85' ' ' HIS . 6.4 t -63.71 -49.55 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.145 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.465 ' N ' HG23 ' B' ' 81' ' ' THR . 62.3 m -51.87 -39.3 58.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.036 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -65.98 -72.51 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.657 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' D' ' 2' ' ' ARG . 0.0 OUTLIER -88.71 -55.97 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.683 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 7.1 t60 -43.64 -24.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 111.528 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.7 tm-20 -43.95 -63.22 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.696 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.84 -5.93 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.689 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.838 ' CZ ' HG23 ' D' ' 3' ' ' THR . 35.1 m-85 -96.15 -9.86 29.6 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.878 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' B' ' 85' ' ' HIS . 1.8 pp20? -47.41 148.12 1.44 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -179.27 -47.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.903 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' THR . . . . . 0.561 HG23 ' HB3' ' C' ' 6' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.685 0.279 . . . . 0.0 111.405 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 6.1 mtp180 -50.38 -71.4 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.841 0.353 . . . . 0.0 110.689 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.834 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -98.72 1.72 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.098 179.323 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 1.001 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -80.8 -2.16 46.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.438 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 1.001 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 33.79 37.59 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.372 0.606 . . . . 0.0 111.236 -179.3 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.561 ' HB3' HG23 ' C' ' 1' ' ' THR . 28.8 t0 -61.28 87.74 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.897 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.738 ' NE1' HG13 ' A' ' 80' ' ' VAL . 32.0 m0 -76.49 -44.19 36.43 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.598 ' O ' ' HA ' ' C' ' 12' ' ' SER . 1.9 m-80 170.21 -86.79 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.792 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.808 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -98.31 -49.97 4.5 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.68 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.42 -59.56 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.704 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.68 HD23 HG23 ' C' ' 10' ' ' ILE . 4.1 mm? -90.4 -11.82 39.36 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 9.2 p . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.537 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 1' ' ' THR . . . . . 0.549 HG23 ' HB3' ' D' ' 6' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.671 0.272 . . . . 0.0 111.45 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 2' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 6.1 mtp180 -50.42 -71.47 0.06 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.827 0.346 . . . . 0.0 110.604 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 3' ' ' THR . . . . . 0.838 HG23 ' CZ ' ' B' ' 88' ' ' PHE . 0.2 OUTLIER -98.65 1.76 46.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 179.341 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 1.016 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -80.85 -2.15 46.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.392 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 1.016 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 33.83 37.53 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.363 0.601 . . . . 0.0 111.219 -179.311 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.549 ' HB3' HG23 ' D' ' 1' ' ' THR . 28.7 t0 -61.18 87.65 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.998 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.738 ' NE1' HG13 ' B' ' 80' ' ' VAL . 31.7 m0 -76.36 -44.26 37.27 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.598 ' O ' ' HA ' ' D' ' 12' ' ' SER . 1.9 m-80 170.23 -86.95 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.714 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 9' ' ' LYS . . . . . 0.789 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -98.18 -49.96 4.53 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.703 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.43 -59.55 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.721 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.703 HD23 HG23 ' D' ' 10' ' ' ILE . 4.1 mm? -90.4 -11.73 39.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 9.3 p . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.529 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.931 0.396 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.578 ' OE2' HG22 ' B' ' 13' ' ' VAL . 5.4 pt-20 -55.41 -38.23 68.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.143 0.497 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.557 HD13 ' OE2' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -52.47 -44.69 65.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.965 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -61.34 -41.12 96.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 1.7 mtpp -73.16 -51.45 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -57.72 -49.15 77.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.445 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.6 ttm -50.27 -65.04 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.03 -20.27 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.844 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -59.1 -43.59 91.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.342 0.592 . . . . 0.0 109.641 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.522 HD12 ' HD2' ' A' ' 73' ' ' PHE . 1.2 pp -69.31 -39.25 78.38 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.488 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 7' ' ' MET . 4.1 mt -65.73 -35.99 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.601 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -42.12 54.97 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.843 HG21 ' OE1' ' A' ' 39' ' ' GLU . 25.6 t -58.56 -46.64 89.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.426 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.526 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.09 -34.66 68.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.368 179.418 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.466 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -72.1 -16.34 62.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.017 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -45.06 16.44 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.948 0.404 . . . . 0.0 110.085 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.698 ' CD1' HD11 ' A' ' 35' ' ' LEU . 2.7 m-85 -83.49 -46.97 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.12 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' HD11 ' A' ' 27' ' ' LEU . 20.2 m -57.31 117.1 3.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' N ' ' HA ' ' A' ' 24' ' ' LYS . . . 139.49 -26.32 2.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.627 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -30.47 71.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.946 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -82.19 -70.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.48 -49.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.95 -35.23 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.364 . . . . 0.0 110.79 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HA ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 58.73 41.42 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.72 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.5 t-80 -176.69 42.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.964 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.2 mtpt -164.89 152.08 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.834 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.964 HD13 ' O ' ' A' ' 26' ' ' LYS . 1.3 mm? -134.51 133.59 40.52 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 121.009 0.433 . . . . 0.0 111.34 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' HA ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -98.6 -169.91 1.86 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.421 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -55.27 -41.38 72.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.143 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -74.99 -42.39 57.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.722 ' O ' HD22 ' A' ' 35' ' ' LEU . 25.3 mt-10 -66.58 -67.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.188 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' HA ' HD23 ' A' ' 35' ' ' LEU . 6.0 tp -45.52 -59.74 2.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.071 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 1.003 ' HG2' HG11 ' A' ' 53' ' ' VAL . 38.7 mttt -41.28 -46.93 3.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.547 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.62 -55.51 31.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.595 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.722 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.3 mm? -49.44 -35.93 20.83 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.923 0.392 . . . . 0.0 111.537 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.685 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.2 mt -55.18 -64.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.7 -12.67 61.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.601 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.483 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 8.8 t30 -88.92 -23.67 22.65 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.592 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.843 ' OE1' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -148.11 43.88 1.05 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.282 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 36' ' ' ILE . 83.5 mt -156.9 69.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.696 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -97.96 35.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.032 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.62 -49.8 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.782 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.56 -48.86 2.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.616 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.478 HD13 HD13 ' A' ' 40' ' ' LEU . 2.0 mt -98.39 53.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.517 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.36 -28.74 30.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.344 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.542 ' O ' ' O ' ' A' ' 47' ' ' ILE . 24.4 tt0 -163.44 50.45 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.681 ' CG2' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER 52.95 135.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.207 179.639 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -57.62 -22.78 47.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.961 -179.448 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 53' ' ' VAL . 1.9 mt-10 167.29 175.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.026 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.23 -31.71 62.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.863 0.363 . . . . 0.0 110.75 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -73.44 -40.55 64.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.941 ' O ' HG23 ' A' ' 56' ' ' VAL . 17.1 m -61.26 -42.33 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.567 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.003 HG11 ' HG2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -61.09 -50.07 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.926 -179.632 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -48.73 -35.31 13.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.092 0.472 . . . . 0.0 109.839 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' O ' ' OG1' ' A' ' 59' ' ' THR . 0.0 OUTLIER -81.31 -41.11 22.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.075 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 52' ' ' VAL . 91.3 t -55.6 -53.37 37.41 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.079 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.762 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.447 ' HE1' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -56.35 -39.58 73.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.322 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -38.46 91.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.856 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.712 ' CG2' HG22 ' C' ' 10' ' ' ILE . 0.2 OUTLIER -64.8 -31.85 73.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.145 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.789 HD21 ' CD1' ' A' ' 76' ' ' PHE . 78.3 mt -80.43 -50.12 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.114 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -49.15 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.044 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.55 -50.15 6.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.677 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 176.72 45.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.11 -58.11 0.93 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.601 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.37 30.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.61 -17.37 35.42 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.347 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.667 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 2.1 pt-20 -114.68 -175.12 2.62 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.2 m -111.22 115.25 29.04 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 9.1 p-10 -104.7 -167.65 1.38 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 25' ' ' HIS . 5.7 t80 -62.05 -26.16 68.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.93 -38.31 90.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.964 0.411 . . . . 0.0 110.697 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 60' ' ' LEU . 3.0 mm-40 -76.8 -28.28 55.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.459 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.684 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -51.99 -58.35 6.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 179.26 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.454 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 72.0 mmm -60.2 -45.87 91.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.134 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' O ' ' HE2' ' A' ' 79' ' ' MET . . . -61.11 -21.12 63.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.031 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.789 ' CD1' HD21 ' A' ' 60' ' ' LEU . 44.3 t80 -85.44 -74.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.298 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.821 ' O ' HG23 ' A' ' 81' ' ' THR . 0.9 OUTLIER -50.24 -26.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.411 -179.687 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 74' ' ' MET . . . -83.83 -53.79 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.457 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 25.1 mtm -62.16 -46.07 90.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.421 0.629 . . . . 0.0 110.267 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.769 HG13 ' NE1' ' C' ' 7' ' ' TRP . 89.4 t -56.54 -52.45 53.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.674 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.821 HG23 ' O ' ' A' ' 77' ' ' VAL . 14.8 p -72.97 -49.52 28.67 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.783 0.325 . . . . 0.0 111.452 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 68.9 m -47.87 -25.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.691 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.474 ' HB2' ' CB ' ' C' ' 6' ' ' ASP . . . -83.29 -68.35 0.72 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 112.025 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -85.88 -49.95 7.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.621 -178.656 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.467 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 1.4 t60 -51.3 -19.38 1.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.128 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 82' ' ' THR . 18.3 tt0 -61.12 -64.75 0.85 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.569 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -121.91 -16.56 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 84' ' ' CYS . 8.7 m-85 -92.9 -17.68 23.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.553 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 62.8 -79.95 0.03 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.992 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.15 -73.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.877 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.846 0.355 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.601 ' OE2' HG22 ' A' ' 13' ' ' VAL . 5.4 pt-20 -55.31 -38.32 68.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.177 0.513 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.563 HD13 ' OE2' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -52.32 -44.83 65.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.984 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -61.24 -41.24 96.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.578 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 1.8 mtpp -73.16 -51.48 17.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.773 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -57.78 -49.11 77.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.479 ' O ' HG13 ' B' ' 11' ' ' ILE . 49.6 ttm -50.26 -65.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.968 0.413 . . . . 0.0 110.801 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.96 -20.41 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.753 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -59.01 -43.56 91.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.259 0.552 . . . . 0.0 109.669 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' B' ' 73' ' ' PHE . 1.2 pp -69.32 -39.32 78.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.459 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 7' ' ' MET . 4.1 mt -65.74 -35.99 76.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.599 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -42.01 55.03 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.847 HG21 ' OE1' ' B' ' 39' ' ' GLU . 25.7 t -58.66 -46.6 90.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.413 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.531 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -72.16 -34.7 68.69 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.369 179.489 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.462 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -72.03 -16.32 62.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.094 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -45.2 16.3 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.922 0.391 . . . . 0.0 110.022 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.694 ' CD1' HD11 ' B' ' 35' ' ' LEU . 2.7 m-85 -83.46 -47.02 11.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.411 ' OG ' HD11 ' B' ' 27' ' ' LEU . 20.3 m -57.3 117.11 3.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.407 ' N ' ' HA ' ' B' ' 24' ' ' LYS . . . 139.46 -26.34 2.68 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.636 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -30.56 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 111.012 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -82.17 -70.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.0 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.55 -49.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.92 -35.24 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.818 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.407 ' HA ' ' N ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER 58.71 41.44 21.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.727 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 3.5 t-80 -176.69 42.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.946 ' O ' HD13 ' B' ' 27' ' ' LEU . 1.2 mtpt -164.93 152.05 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.856 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.946 HD13 ' O ' ' B' ' 26' ' ' LYS . 1.3 mm? -134.52 133.54 40.44 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 120.973 0.416 . . . . 0.0 111.344 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -98.52 -169.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.444 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -55.32 -41.41 72.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.012 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -74.95 -42.47 57.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.734 ' O ' HD22 ' B' ' 35' ' ' LEU . 25.3 mt-10 -66.64 -67.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.15 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' B' ' 35' ' ' LEU . 6.0 tp -45.59 -59.58 2.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.133 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.96 ' HG2' HG11 ' B' ' 53' ' ' VAL . 38.7 mttt -41.37 -46.97 3.47 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.516 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.6 -55.47 31.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.589 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.734 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.3 mm? -49.44 -35.99 21.03 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 120.933 0.397 . . . . 0.0 111.465 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.664 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.2 mt -55.16 -64.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -68.66 -12.67 61.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.621 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.489 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 8.8 t30 -88.97 -23.65 22.6 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.594 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.847 ' OE1' HG21 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -148.07 43.83 1.06 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.288 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' B' ' 36' ' ' ILE . 83.1 mt -156.9 69.54 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 0.0 110.692 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -97.93 35.73 1.67 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.048 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.6 -49.85 2.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.725 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.6 -48.87 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.584 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.48 ' CD1' HD13 ' B' ' 40' ' ' LEU . 2.0 mt -98.32 53.68 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.618 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.33 -28.79 30.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.26 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.537 ' O ' ' O ' ' B' ' 47' ' ' ILE . 24.4 tt0 -163.48 50.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.68 ' CG2' HG22 ' B' ' 53' ' ' VAL . 0.0 OUTLIER 52.98 135.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.269 179.658 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.561 ' HB2' HG21 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -57.56 -22.93 47.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 111.003 -179.482 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.53 ' O ' HG23 ' B' ' 53' ' ' VAL . 1.9 mt-10 167.46 175.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.921 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.23 -31.66 62.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.834 0.349 . . . . 0.0 110.852 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -73.44 -40.65 64.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 56' ' ' VAL . 17.0 m -61.24 -42.24 92.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.628 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.96 HG11 ' HG2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -61.05 -50.06 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.027 -179.747 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -48.76 -35.25 13.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.144 0.497 . . . . 0.0 109.866 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.422 ' O ' ' OG1' ' B' ' 59' ' ' THR . 0.0 OUTLIER -81.41 -41.01 22.54 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.061 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.921 HG23 ' O ' ' B' ' 52' ' ' VAL . 91.2 t -55.7 -53.24 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.78 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.461 ' HE1' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -56.55 -39.5 73.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.33 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -38.44 91.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.934 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.698 ' CG2' HG22 ' D' ' 10' ' ' ILE . 0.2 OUTLIER -64.76 -31.8 73.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.195 179.166 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.788 HD21 ' CD1' ' B' ' 76' ' ' PHE . 78.4 mt -80.49 -50.06 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.085 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -49.19 95.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.025 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.66 -50.16 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 176.78 45.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.09 -58.21 0.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.531 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.38 30.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -17.28 35.64 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.301 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.666 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 2.1 pt-20 -114.74 -175.24 2.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.489 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 3.2 m -111.13 115.3 29.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.573 ' HB3' ' HA ' ' B' ' 26' ' ' LYS . 9.1 p-10 -104.73 -167.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.569 ' HB3' ' CE1' ' B' ' 25' ' ' HIS . 5.7 t80 -62.05 -26.2 68.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.92 -38.32 90.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.709 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.465 ' HB3' ' HB3' ' B' ' 60' ' ' LEU . 3.1 mm-40 -76.85 -28.23 55.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.472 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.68 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -51.98 -58.35 6.77 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.306 179.229 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.46 ' SD ' HD21 ' B' ' 10' ' ' LEU . 71.9 mmm -60.17 -45.94 91.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.075 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.13 -21.08 63.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.049 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.788 ' CD1' HD21 ' B' ' 60' ' ' LEU . 44.2 t80 -85.38 -74.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.318 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.812 ' O ' HG23 ' B' ' 81' ' ' THR . 0.9 OUTLIER -50.2 -26.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.413 -179.704 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 74' ' ' MET . . . -83.85 -53.77 5.36 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.2 mtm -62.06 -46.12 90.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.41 0.624 . . . . 0.0 110.284 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.786 HG13 ' NE1' ' D' ' 7' ' ' TRP . 89.2 t -56.57 -52.44 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.645 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.812 HG23 ' O ' ' B' ' 77' ' ' VAL . 15.0 p -73.01 -49.47 28.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 111.445 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 69.2 m -47.79 -25.96 1.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.697 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' D' ' 6' ' ' ASP . . . -83.29 -68.35 0.72 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -85.78 -50.0 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.654 -178.761 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.468 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 1.4 t60 -51.32 -19.35 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.06 0.457 . . . . 0.0 110.1 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' B' ' 82' ' ' THR . 18.3 tt0 -61.15 -64.78 0.84 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.522 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -121.97 -16.41 7.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.007 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' B' ' 84' ' ' CYS . 8.7 m-85 -93.0 -17.7 23.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 62.81 -79.87 0.03 OUTLIER 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.16 -73.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.876 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' THR . . . . . 0.872 HG22 ' HB2' ' C' ' 6' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.539 0.209 . . . . 0.0 111.338 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -100.2 -73.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.711 -0.396 . . . . 0.0 112.013 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 7.2 t -101.31 1.82 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.807 ' O ' HG23 ' C' ' 5' ' ' ILE . 8.9 tttt -83.72 -65.48 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.262 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 0.807 HG23 ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 141.77 -11.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.867 1.267 . . . . 0.0 110.345 179.262 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.872 ' HB2' HG22 ' C' ' 1' ' ' THR . 40.0 t0 64.32 -4.41 0.41 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.769 ' NE1' HG13 ' A' ' 80' ' ' VAL . 11.6 m95 -48.85 -69.37 0.12 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.646 0.657 . . . . 0.0 109.9 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.691 ' HB3' HG23 ' A' ' 59' ' ' THR . 43.8 t-20 146.4 -97.86 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.489 0.715 . . . . 0.0 111.936 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.2 -36.33 10.48 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.726 HG21 ' HE3' ' C' ' 7' ' ' TRP . 1.7 tp -52.82 -60.79 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.5 0.191 . . . . 0.0 111.242 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.668 HD23 HG13 ' C' ' 10' ' ' ILE . 16.7 mt -93.13 -25.22 17.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.215 0.531 . . . . 0.0 109.902 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.64 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.281 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 1' ' ' THR . . . . . 0.84 HG22 ' HB2' ' D' ' 6' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.549 0.214 . . . . 0.0 111.403 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -100.27 -73.4 0.64 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.698 -0.401 . . . . 0.0 112.024 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 7.3 t -101.22 1.74 39.25 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 0.816 ' O ' HG23 ' D' ' 5' ' ' ILE . 8.8 tttt -83.74 -65.53 1.0 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.268 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 0.816 HG23 ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 141.79 -11.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.9 1.28 . . . . 0.0 110.332 179.174 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.84 ' HB2' HG22 ' D' ' 1' ' ' THR . 40.2 t0 64.17 -4.36 0.4 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.786 ' NE1' HG13 ' B' ' 80' ' ' VAL . 11.6 m95 -48.89 -69.38 0.12 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.697 0.68 . . . . 0.0 109.939 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.692 ' HB3' HG23 ' B' ' 59' ' ' THR . 44.0 t-20 146.47 -97.71 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.548 0.739 . . . . 0.0 111.94 177.522 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -36.27 10.45 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.724 HG21 ' HE3' ' D' ' 7' ' ' TRP . 1.7 tp -52.78 -60.84 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.514 0.197 . . . . 0.0 111.233 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.687 HD23 HG13 ' D' ' 10' ' ' ILE . 16.8 mt -93.08 -25.38 17.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.157 0.504 . . . . 0.0 109.813 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.653 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.297 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.752 0.31 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -58.65 -23.71 59.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.14 -62.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.87 -41.03 97.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.13 -61.59 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -56.82 -36.01 69.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.397 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.556 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.0 ttt -58.93 -55.36 36.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.758 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.655 ' HA ' HG13 ' A' ' 11' ' ' ILE . 21.8 t -73.32 -28.55 25.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.884 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.59 -42.78 71.51 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.445 0.64 . . . . 0.0 109.801 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.94 -59.72 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.116 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -47.9 -37.11 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.69 179.125 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.77 -42.83 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.281 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.823 HG12 ' HG ' ' A' ' 35' ' ' LEU . 6.7 t -63.65 -47.02 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.863 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -76.61 -24.57 53.41 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.703 0.287 . . . . 0.0 111.086 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 18.5 t-80 -81.38 -18.02 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.94 -43.89 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.211 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.75 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.0 m-85 -83.55 -58.42 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.66 ' HB2' HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -58.3 114.26 2.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.935 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.59 -44.2 1.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -43.59 92.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 111.033 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -146.25 80.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.83 -156.81 28.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.57 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.0 -7.73 59.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.576 0.227 . . . . 0.0 111.468 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt 69.84 49.45 0.52 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.039 0.447 . . . . 0.0 110.752 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.411 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 8.8 t-160 -171.37 -34.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.687 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.735 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.33 163.44 13.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.343 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 26' ' ' LYS . 2.3 mm? -131.96 139.72 48.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.133 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.82 -177.49 3.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.004 0.431 . . . . 0.0 111.556 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.61 -26.4 13.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.019 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -83.12 -43.87 15.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.674 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.606 ' O ' HD22 ' A' ' 35' ' ' LEU . 1.5 mp0 -81.43 -64.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.439 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.589 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.4 tm? -44.05 -56.89 3.69 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.783 0.325 . . . . 0.0 111.424 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.569 ' HD3' HG11 ' A' ' 53' ' ' VAL . 73.9 mttt -59.32 -45.81 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.819 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -43.03 -45.92 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.285 -179.67 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.823 ' HG ' HG12 ' A' ' 13' ' ' VAL . 2.2 mm? -66.33 -38.57 87.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.235 0.54 . . . . 0.0 110.262 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.992 HG23 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -54.69 -56.7 9.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.943 178.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.519 ' N ' HG22 ' A' ' 36' ' ' ILE . 1.5 p30 -69.94 -22.57 63.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.701 177.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.521 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 64.7 t-20 -67.54 -45.59 75.27 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.802 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.71 61.89 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.992 HD13 HG23 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -79.69 -15.15 58.09 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.579 179.474 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER 165.26 -62.4 0.0 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.9 0.381 . . . . 0.0 110.484 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -138.63 -46.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HB3' HD23 ' A' ' 44' ' ' LEU . 1.2 t80 -160.19 -67.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.337 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.496 HD23 ' HB3' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -143.67 57.0 1.36 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.065 -179.602 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.561 ' N ' HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -70.59 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.089 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -63.98 -14.11 51.41 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.89 HG23 HD13 ' A' ' 36' ' ' ILE . 10.2 pt -122.37 77.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.099 0.476 . . . . 0.0 110.663 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -23.08 14.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.267 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.778 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -160.55 -174.64 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -76.73 -44.3 33.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.041 0.448 . . . . 0.0 110.508 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.44 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.266 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.0 m -61.1 -44.42 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.967 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.841 HG22 ' CG2' ' A' ' 47' ' ' ILE . 3.8 t -48.52 -54.59 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-O 120.93 0.395 . . . . 0.0 111.246 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -54.8 -32.51 60.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.057 0.456 . . . . 0.0 109.972 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -77.28 -42.88 35.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.362 179.302 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.914 ' HB ' HD12 ' C' ' 10' ' ' ILE . 4.2 p -65.67 -49.25 78.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.43 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -60.66 -24.51 65.63 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.27 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 11.7 mt-10 -87.25 -35.24 18.61 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.601 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.997 HG21 HG22 ' C' ' 10' ' ' ILE . 85.5 m -63.59 -28.66 70.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.748 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD13 ' HD2' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -86.88 -27.77 23.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.848 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.22 96.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -123.94 -43.68 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.738 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -139.73 40.22 2.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.728 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.84 6.68 25.78 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.827 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 58.49 23.69 11.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.778 0.323 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.38 7.54 26.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.829 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 3.0 mt-10 -136.24 -177.37 4.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.497 ' HA ' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -112.07 99.25 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.072 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.735 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -95.31 -174.65 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 16.5 t80 -59.12 -19.87 48.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.214 0.531 . . . . 0.0 110.469 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 -66.52 -40.04 88.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.372 179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 16.4 mm-40 -73.41 -29.43 62.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.151 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.632 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -52.65 -50.22 63.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.829 178.53 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.563 ' SD ' HG21 ' B' ' 81' ' ' THR . 17.6 mmt -59.74 -57.19 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.424 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.37 68.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.456 ' HD2' HD13 ' A' ' 60' ' ' LEU . 3.6 t80 -60.34 -74.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 73' ' ' PHE . 2.4 m -58.56 -28.58 36.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.332 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' B' ' 74' ' ' MET . . . -76.24 -47.77 22.69 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.6 mtm -70.35 -59.03 3.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.175 0.512 . . . . 0.0 110.754 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.623 HG22 ' CE2' ' C' ' 7' ' ' TRP . 96.1 t -51.46 -35.2 16.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.286 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.828 HG23 ' HB3' ' A' ' 85' ' ' HIS . 2.0 m -71.22 -60.23 2.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.346 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.59 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 34.0 m -43.16 -26.52 0.17 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.539 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.77 ' HB1' HG22 ' C' ' 5' ' ' ILE . . . -83.57 -70.89 0.53 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.591 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -88.86 -56.05 3.45 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.669 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.828 ' HB3' HG23 ' A' ' 81' ' ' THR . 1.7 t-160 -53.18 -19.77 3.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.327 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.4 tm-20 -52.96 -64.28 0.87 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.084 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -118.87 -27.63 5.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.554 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 8.1 m-85 -79.97 -19.86 46.9 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.792 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 68.49 -66.28 0.24 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.742 0.306 . . . . 0.0 111.107 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -130.67 -59.5 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.95 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.95 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.84 0.352 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.68 -23.7 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.09 -62.59 1.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.87 -40.93 97.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.13 -61.65 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -56.83 -35.89 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.399 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.564 ' O ' HG13 ' B' ' 11' ' ' ILE . 2.0 ttt -59.11 -55.28 37.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.79 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.637 ' HA ' HG13 ' B' ' 11' ' ' ILE . 21.8 t -73.36 -28.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.904 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.61 -42.84 71.62 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.457 0.646 . . . . 0.0 109.803 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.89 -59.63 3.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.144 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.637 HG13 ' HA ' ' B' ' 8' ' ' VAL . 0.4 OUTLIER -48.11 -36.99 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.667 179.244 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -42.83 72.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.285 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.843 HG12 ' HG ' ' B' ' 35' ' ' LEU . 6.8 t -63.7 -46.91 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.83 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.594 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -76.71 -24.51 53.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 111.151 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.422 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 18.5 t-80 -81.33 -18.18 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.068 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.84 -43.97 14.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.858 0.361 . . . . 0.0 110.205 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.771 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.0 m-85 -83.42 -58.55 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.174 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.646 ' HB2' HD11 ' B' ' 27' ' ' LEU . 0.5 OUTLIER -58.29 114.3 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.901 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.53 -44.22 1.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -43.55 93.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.805 0.336 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -146.29 80.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.76 -156.76 28.65 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.65 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.06 -7.7 59.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.501 0.191 . . . . 0.0 111.392 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt 69.84 49.49 0.52 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.051 0.453 . . . . 0.0 110.746 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.41 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 8.8 t-160 -171.47 -34.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.734 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.744 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.39 163.37 14.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.373 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.692 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.3 mm? -131.91 139.74 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.142 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.86 -177.43 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.911 0.386 . . . . 0.0 111.599 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.72 -26.4 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -83.11 -43.83 15.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.607 ' O ' HD22 ' B' ' 35' ' ' LEU . 1.5 mp0 -81.52 -64.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.408 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.579 HD13 ' C ' ' B' ' 32' ' ' LEU . 3.4 tm? -44.04 -56.86 3.7 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.722 0.296 . . . . 0.0 111.451 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.569 ' HD3' HG11 ' B' ' 53' ' ' VAL . 74.0 mttt -59.32 -45.73 90.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.883 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 0.5 OUTLIER -43.09 -45.97 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.235 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.843 ' HG ' HG12 ' B' ' 13' ' ' VAL . 2.2 mm? -66.22 -38.6 88.31 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.262 0.553 . . . . 0.0 110.298 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 1.0 HG23 HD13 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -54.66 -56.69 9.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.311 -0.858 . . . . 0.0 108.98 178.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.515 ' N ' HG22 ' B' ' 36' ' ' ILE . 1.5 p30 -69.93 -22.67 63.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.695 177.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.536 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 64.7 t-20 -67.37 -45.72 75.44 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.807 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.68 61.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 1.0 HD13 HG23 ' B' ' 36' ' ' ILE . 1.0 OUTLIER -79.63 -15.16 58.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.532 179.478 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 41' ' ' SER . . . . . 0.491 ' N ' HD23 ' B' ' 40' ' ' LEU . 1.0 OUTLIER 165.24 -62.29 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.897 0.379 . . . . 0.0 110.487 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -138.56 -46.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' PHE . . . . . 0.492 ' HB3' HD23 ' B' ' 44' ' ' LEU . 1.2 t80 -160.24 -67.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.341 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' B' ' 43' ' ' PHE . 0.7 OUTLIER -143.6 56.96 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 111.139 -179.611 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.568 ' N ' HD11 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -70.52 -67.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -64.06 -14.16 52.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.861 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.864 HG23 HD13 ' B' ' 36' ' ' ILE . 10.3 pt -122.32 77.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.104 0.478 . . . . 0.0 110.733 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -23.08 14.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.263 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.768 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.2 OUTLIER -160.51 -174.61 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.532 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -76.66 -44.4 34.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 0.0 110.513 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -42.49 98.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.346 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.0 m -61.11 -44.39 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.994 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.845 HG22 ' CG2' ' B' ' 47' ' ' ILE . 3.8 t -48.48 -54.62 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 1.0 OUTLIER -54.81 -32.54 60.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.077 0.465 . . . . 0.0 109.948 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -77.29 -42.81 35.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.409 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.939 ' HB ' HD12 ' D' ' 10' ' ' ILE . 4.2 p -65.65 -49.27 78.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.443 ' HA ' HD12 ' B' ' 60' ' ' LEU . 0.5 OUTLIER -60.59 -24.56 65.55 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.187 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 11.6 mt-10 -87.28 -35.14 18.63 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.594 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 59' ' ' THR . . . . . 1.038 HG21 HG22 ' D' ' 10' ' ' ILE . 85.9 m -63.69 -28.59 70.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.799 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.462 HD13 ' HD2' ' B' ' 76' ' ' PHE . 1.0 OUTLIER -86.96 -27.67 23.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.875 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.2 96.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -123.97 -43.64 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.732 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -139.65 40.16 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.74 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.95 6.87 25.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.693 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 58.47 23.56 10.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.4 7.59 26.1 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.83 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 26' ' ' LYS . 3.0 mt-10 -136.21 -177.43 4.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.474 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 0.1 OUTLIER -111.94 99.27 7.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.86 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.744 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.8 OUTLIER -95.28 -174.68 3.28 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 178.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 16.4 t80 -59.08 -19.88 48.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.142 0.496 . . . . 0.0 110.436 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 36.0 mm-40 -66.43 -40.19 89.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.365 179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.474 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 16.4 mm-40 -73.4 -29.41 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.1 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.633 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -52.65 -50.28 63.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.777 178.592 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.565 ' SD ' HG21 ' A' ' 81' ' ' THR . 17.6 mmt -59.72 -57.1 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.392 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.4 68.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.462 ' HD2' HD13 ' B' ' 60' ' ' LEU . 3.7 t80 -60.22 -74.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.639 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.633 HG22 ' O ' ' B' ' 73' ' ' PHE . 2.4 m -58.52 -28.6 36.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.34 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -76.33 -47.57 23.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 31.5 mtm -70.43 -58.98 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.2 0.524 . . . . 0.0 110.776 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' D' ' 7' ' ' TRP . 95.3 t -51.51 -35.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.267 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.836 HG23 ' HB3' ' B' ' 85' ' ' HIS . 1.9 m -71.35 -60.19 2.36 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.588 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 34.5 m -43.11 -26.51 0.16 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.584 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.796 ' HB1' HG22 ' D' ' 5' ' ' ILE . . . -83.61 -70.85 0.53 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.595 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' B' ' 88' ' ' PHE . 0.5 OUTLIER -88.88 -56.13 3.41 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.696 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.836 ' HB3' HG23 ' B' ' 81' ' ' THR . 1.7 t-160 -53.21 -19.72 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.12 0.486 . . . . 0.0 110.314 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.4 tm-20 -53.01 -64.25 0.88 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.126 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -118.86 -27.61 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.576 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' B' ' 84' ' ' CYS . 8.1 m-85 -80.09 -19.81 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.735 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.416 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 0.0 OUTLIER 68.46 -66.23 0.24 Allowed 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 120.77 0.319 . . . . 0.0 111.152 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -130.73 -59.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.937 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.675 0.274 . . . . 0.0 111.256 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -101.09 -74.78 0.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.402 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 23.5 p -102.87 -10.83 18.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 1.096 ' O ' HG23 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -101.45 -63.81 1.11 Allowed 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -177.881 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 1.096 HG23 ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 114.1 34.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.598 1.559 . . . . 0.0 110.489 -179.077 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.431 ' N ' ' HD3' ' C' ' 4' ' ' LYS . 4.5 p-10 -69.25 70.6 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.026 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.743 ' CE3' HG21 ' C' ' 10' ' ' ILE . 20.3 m0 -52.19 -53.64 40.7 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.052 0.453 . . . . 0.0 109.837 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.843 ' HB3' HG23 ' A' ' 59' ' ' THR . 0.3 OUTLIER -178.4 -92.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.678 179.019 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.443 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -97.85 -39.37 9.04 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.997 HG22 HG21 ' A' ' 59' ' ' THR . 2.0 tt -56.13 -60.85 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.747 ' HG ' HG12 ' C' ' 5' ' ' ILE . 4.5 mm? -92.95 -15.94 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.632 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 11.6 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.313 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 1' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' B' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.642 0.258 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -101.05 -74.89 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.382 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 23.6 p -102.81 -10.83 18.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 1.107 ' O ' HG23 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -101.47 -63.79 1.11 Allowed 'General case' 0 C--O 1.225 -0.197 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -177.832 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 1.107 HG23 ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 114.12 34.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.579 1.552 . . . . 0.0 110.442 -179.109 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.426 ' N ' ' HD3' ' D' ' 4' ' ' LYS . 4.4 p-10 -69.33 70.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.045 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.736 ' CE3' HG21 ' D' ' 10' ' ' ILE . 20.4 m0 -52.19 -53.62 41.05 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.064 0.459 . . . . 0.0 109.834 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.823 ' HB3' HG23 ' B' ' 59' ' ' THR . 0.3 OUTLIER -178.4 -92.08 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.635 179.006 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 9' ' ' LYS . . . . . 0.444 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -97.89 -39.43 9.0 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.81 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 1.038 HG22 HG21 ' B' ' 59' ' ' THR . 2.0 tt -56.05 -60.88 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.74 ' HG ' HG12 ' D' ' 5' ' ' ILE . 4.5 mm? -93.01 -15.82 25.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 11.4 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.419 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.735 0.302 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.741 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 6.6 mt-10 -59.49 -23.67 62.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.709 HD13 HD11 ' B' ' 40' ' ' LEU . 0.5 OUTLIER -71.91 -25.27 61.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -79.56 -47.56 15.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -71.57 -46.8 58.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.081 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.557 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -60.67 -35.75 77.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.934 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.454 ' HE1' HG21 ' B' ' 81' ' ' THR . 0.0 OUTLIER -61.28 -63.4 1.3 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.504 179.632 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.36 -23.62 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.393 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.767 ' HB1' ' HG2' ' B' ' 2' ' ' GLU . . . -58.7 -40.85 84.82 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.426 0.631 . . . . 0.0 109.619 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.562 HD12 ' CE ' ' A' ' 74' ' ' MET . 3.3 mt -67.78 -44.91 76.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.826 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.466 HG12 ' CE1' ' A' ' 70' ' ' PHE . 5.1 mt -58.09 -42.87 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.917 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.07 -42.82 69.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.505 HG12 ' HG ' ' A' ' 35' ' ' LEU . 15.4 t -57.64 -56.57 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.416 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -69.91 -27.91 65.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.442 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 26.1 t60 -75.14 -18.82 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -47.14 11.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.3 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.787 ' CD1' HD21 ' A' ' 35' ' ' LEU . 3.6 m-85 -83.58 -62.18 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.71 122.3 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.43 35.13 1.8 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.09 -32.22 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -90.03 -69.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.53 -39.09 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.539 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -60.31 -52.69 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 13.7 tmtt? 57.95 164.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' A' ' 69' ' ' ASP . 0.8 OUTLIER 84.73 -35.51 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.707 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.821 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.14 158.79 17.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.696 0.284 . . . . 0.0 110.263 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.809 HD23 ' HB3' ' A' ' 31' ' ' GLU . 4.5 mp -135.42 137.84 42.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 111.053 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' HG2' ' A' ' 67' ' ' GLU . 9.6 pttm -92.03 174.9 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.44 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 1.1 mptt -49.19 -29.17 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.097 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 1.1 p -84.07 -28.16 27.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.767 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.809 ' HB3' HD23 ' A' ' 27' ' ' LEU . 1.2 mt-10 -80.12 -69.46 0.59 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.546 ' C ' HD12 ' A' ' 32' ' ' LEU . 0.9 OUTLIER -54.02 -45.92 71.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.35 . . . . 0.0 111.307 -179.213 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.797 ' HG3' HG11 ' A' ' 53' ' ' VAL . 12.8 ttmt -62.69 -40.43 97.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -49.02 -46.2 43.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.75 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.787 HD21 ' CD1' ' A' ' 17' ' ' TYR . 3.4 mm? -67.44 -42.11 83.65 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.236 0.541 . . . . 0.0 110.972 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.952 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.9 mt -58.37 -36.38 58.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.806 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.65 -17.47 25.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.641 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' GLU . 57.7 t30 -92.66 -20.19 21.09 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.284 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' LEU . 81.5 mm-40 -134.93 -32.13 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.952 HD12 ' HA ' ' A' ' 36' ' ' ILE . 2.0 mt -100.24 32.11 3.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.893 0.378 . . . . 0.0 111.07 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -46.25 62.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -17.75 57.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.386 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.33 104.62 5.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.961 0.41 . . . . 0.0 111.189 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -101.68 120.47 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.6 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.06 -45.64 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.004 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' O ' HD12 ' A' ' 47' ' ' ILE . 39.5 mt-10 -91.41 2.19 56.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.577 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.025 HG23 HG22 ' A' ' 53' ' ' VAL . 0.4 OUTLIER -179.6 147.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.366 . . . . 0.0 110.362 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.854 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -130.43 -86.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.829 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -79.19 146.63 33.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 110.926 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -51.99 -38.21 55.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.114 0.483 . . . . 0.0 110.811 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.49 -42.57 96.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.411 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.854 HG21 ' HG2' ' A' ' 48' ' ' LYS . 9.5 m -70.6 -37.69 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.374 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.025 HG22 HG23 ' A' ' 47' ' ' ILE . 2.4 t -57.8 -28.99 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 110.985 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -72.75 -50.54 23.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.632 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' THR . 10.3 ttmt -64.32 -45.43 87.93 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.365 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.774 ' CG1' ' HA ' ' A' ' 53' ' ' VAL . 10.4 p -63.15 -51.96 64.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.53 ' HE2' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -61.47 -25.62 67.36 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.151 0.501 . . . . 0.0 109.675 178.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 22.6 mt-10 -86.6 -26.25 24.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.437 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.567 HG23 ' H ' ' C' ' 9' ' ' LYS . 54.2 m -75.71 -24.32 56.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.951 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.629 HD13 ' CE2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -95.93 -16.96 21.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.294 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -46.77 101.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.762 0.315 . . . . 0.0 111.258 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -107.89 -54.2 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -141.07 37.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.21 7.28 26.93 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.69 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 58.62 31.92 21.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.45 28.44 10.52 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.5 mt-10 -137.65 172.43 12.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.876 0.37 . . . . 0.0 110.485 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 32' ' ' LEU . 1.7 t -111.63 86.81 2.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.0 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.821 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -76.15 -173.95 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . 29.7 t80 -66.97 -33.09 74.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.458 ' HA ' HG22 ' B' ' 82' ' ' THR . 8.0 pt20 -76.23 -23.48 54.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.375 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -84.33 -37.28 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -82.84 -22.95 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.477 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.61 ' HB2' HG22 ' B' ' 82' ' ' THR . 0.0 OUTLIER -72.13 -47.88 47.78 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.789 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -67.87 -23.68 65.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.738 ' CE1' HG21 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -63.95 -72.12 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.758 179.422 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.427 HG23 ' OE2' ' A' ' 46' ' ' GLU . 2.6 p -44.93 -32.27 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-O 121.224 0.535 . . . . 0.0 110.76 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.31 -40.04 17.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.403 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.542 ' CE ' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -72.14 -44.09 63.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.738 HG21 ' CE1' ' A' ' 76' ' ' PHE . 59.4 t -68.57 -38.27 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.411 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.424 HG21 ' HE1' ' B' ' 7' ' ' MET . 8.5 m -70.36 -59.79 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.034 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 78' ' ' ALA . 68.8 p -50.11 -24.95 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.003 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -75.81 -72.68 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 5.1 p -87.99 -54.08 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -44.7 -24.61 0.21 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 110.796 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.2 tm-20 -50.64 -63.69 1.04 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.38 -21.23 10.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 9.3 m-85 -80.16 -11.87 59.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.222 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -48.79 -53.18 20.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.954 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 71.42 -55.57 0.65 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.808 0.337 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.767 ' HG2' ' HB1' ' A' ' 9' ' ' ALA . 6.5 mt-10 -59.57 -23.67 63.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.021 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.674 HD13 HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -71.9 -25.2 61.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.024 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -79.64 -47.57 15.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -71.48 -46.83 58.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.067 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.557 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -60.66 -35.85 77.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.44 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -61.26 -63.43 1.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.466 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 8' ' ' VAL . . . . . 0.4 ' HA ' HD12 ' B' ' 11' ' ' ILE . 25.5 t -68.34 -23.67 28.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.311 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.741 ' HB1' ' HG2' ' A' ' 2' ' ' GLU . . . -58.73 -40.75 84.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.361 0.601 . . . . 0.0 109.551 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.571 HD12 ' CE ' ' B' ' 74' ' ' MET . 3.3 mt -67.91 -44.77 76.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.816 178.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.463 HG12 ' CE1' ' B' ' 70' ' ' PHE . 5.2 mt -58.23 -42.79 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.891 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -54.09 -42.97 69.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.519 HG12 ' HG ' ' B' ' 35' ' ' LEU . 15.1 t -57.42 -56.63 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.532 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.607 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -69.88 -27.89 65.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.79 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.44 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 26.4 t60 -75.22 -18.78 60.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.2 -47.06 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.327 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.787 ' CD1' HD21 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.51 -62.42 1.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.48 122.28 10.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.24 35.54 1.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.5 -32.04 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.28 -69.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.4 -39.2 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -60.25 -52.75 63.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 13.7 tmtt? 58.09 164.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' B' ' 69' ' ' ASP . 0.8 OUTLIER 84.82 -35.59 0.05 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.678 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.824 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.08 158.84 17.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.646 0.26 . . . . 0.0 110.301 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.83 HD23 ' HB3' ' B' ' 31' ' ' GLU . 4.5 mp -135.49 137.79 42.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.965 0.412 . . . . 0.0 111.12 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.409 ' HA ' ' HG2' ' B' ' 67' ' ' GLU . 9.6 pttm -91.99 174.88 7.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.401 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' B' ' 33' ' ' LYS . 1.1 mptt -49.06 -29.22 4.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.196 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 1.1 p -84.1 -28.1 27.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.794 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.83 ' HB3' HD23 ' B' ' 27' ' ' LEU . 1.2 mt-10 -80.19 -69.36 0.6 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.55 ' C ' HD12 ' B' ' 32' ' ' LEU . 0.9 OUTLIER -54.1 -45.91 71.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.368 . . . . 0.0 111.297 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.808 ' HG3' HG11 ' B' ' 53' ' ' VAL . 12.8 ttmt -62.78 -40.38 97.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.016 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -48.86 -46.34 42.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.696 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.787 HD21 ' CD1' ' B' ' 17' ' ' TYR . 3.4 mm? -67.28 -42.31 84.01 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.38 0.609 . . . . 0.0 110.913 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.973 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.9 mt -58.36 -36.4 58.26 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.798 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.48 -17.49 25.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.737 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' B' ' 34' ' ' GLU . 57.8 t30 -92.68 -20.19 21.07 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.275 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' B' ' 35' ' ' LEU . 81.4 mm-40 -134.95 -32.23 0.98 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.973 HD12 ' HA ' ' B' ' 36' ' ' ILE . 2.0 mt -100.17 32.08 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.835 0.35 . . . . 0.0 111.126 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -46.25 62.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.52 -17.89 57.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.38 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.28 104.55 5.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.901 0.382 . . . . 0.0 111.205 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.64 HD13 ' HB3' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -101.62 120.46 40.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.652 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.0 -45.61 0.79 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.008 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.512 ' O ' HD12 ' B' ' 47' ' ' ILE . 39.5 mt-10 -91.5 2.31 56.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.608 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 1.02 HG23 HG22 ' B' ' 53' ' ' VAL . 0.4 OUTLIER -179.7 147.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.787 0.327 . . . . 0.0 110.394 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.881 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -130.46 -86.14 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.096 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.805 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -79.24 146.69 32.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.8 0.333 . . . . 0.0 110.842 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -52.06 -38.11 56.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.764 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.66 -42.46 97.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.363 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.881 HG21 ' HG2' ' B' ' 48' ' ' LYS . 9.8 m -70.66 -37.77 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.285 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 1.02 HG22 HG23 ' B' ' 47' ' ' ILE . 2.4 t -57.63 -29.13 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.761 0.315 . . . . 0.0 111.036 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 54' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -72.58 -50.59 24.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.613 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 59' ' ' THR . 10.3 ttmt -64.32 -45.48 87.71 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.322 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.795 ' CG1' ' HA ' ' B' ' 53' ' ' VAL . 10.6 p -63.09 -52.07 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.528 ' N ' HG13 ' B' ' 56' ' ' VAL . 0.5 OUTLIER -61.41 -25.58 67.29 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.137 0.494 . . . . 0.0 109.707 178.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 22.6 mt-10 -86.65 -26.25 24.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.365 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.579 HG23 ' H ' ' D' ' 9' ' ' LYS . 54.0 m -75.64 -24.47 56.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.624 HD13 ' CE2' ' B' ' 76' ' ' PHE . 0.9 OUTLIER -95.9 -16.86 21.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.419 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -46.81 101.12 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.217 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -107.95 -54.01 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -141.19 37.74 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.27 7.3 26.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.696 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t70 58.6 31.82 21.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.54 28.38 10.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 27' ' ' LEU . 2.5 mt-10 -137.63 172.41 13.0 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.893 0.378 . . . . 0.0 110.477 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.465 ' HB2' ' CD2' ' B' ' 32' ' ' LEU . 1.7 t -111.63 86.85 2.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.824 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -76.17 -174.06 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.448 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.607 ' HB2' ' CD2' ' B' ' 14' ' ' PHE . 29.4 t80 -66.89 -33.06 74.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.937 0.399 . . . . 0.0 110.807 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.463 ' HA ' HG22 ' A' ' 82' ' ' THR . 8.0 pt20 -76.3 -23.37 54.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.396 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -84.46 -37.18 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 111.094 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -82.88 -22.81 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.531 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.597 ' HB2' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -72.19 -47.98 46.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.835 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -67.77 -23.91 65.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.737 ' CE1' HG21 ' B' ' 80' ' ' VAL . 1.0 OUTLIER -63.84 -72.04 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.835 179.398 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.439 HG23 ' OE2' ' B' ' 46' ' ' GLU . 2.5 p -45.03 -32.23 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 121.319 0.58 . . . . 0.0 110.767 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.635 ' O ' HG23 ' B' ' 82' ' ' THR . . . -85.36 -39.88 17.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.386 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.545 ' CE ' HD11 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -72.25 -44.16 63.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 111.002 -179.153 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.737 HG21 ' CE1' ' B' ' 76' ' ' PHE . 60.3 t -68.47 -38.31 79.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.432 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.454 HG21 ' HE1' ' A' ' 7' ' ' MET . 8.5 m -70.28 -59.79 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.022 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.635 HG23 ' O ' ' B' ' 78' ' ' ALA . 69.1 p -50.2 -24.85 3.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.089 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -75.84 -72.72 0.3 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 5.2 p -87.88 -54.13 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' B' ' 89' ' ' GLU . 0.9 OUTLIER -44.8 -24.5 0.21 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.046 0.45 . . . . 0.0 110.865 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 86' ' ' GLU . . . . . 0.415 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.2 tm-20 -50.75 -63.5 1.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.187 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.43 -21.25 10.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 9.3 m-85 -80.17 -11.95 59.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.236 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -48.7 -53.29 19.41 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 110.985 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 71.55 -55.74 0.65 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.795 0.331 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -57.48 -71.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.028 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -98.98 -2.24 37.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.777 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.793 ' O ' HD12 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -82.23 -2.12 51.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.512 0.196 . . . . 0.0 110.722 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 0.794 HD13 ' CD1' ' C' ' 7' ' ' TRP . 2.0 pp 54.59 -7.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' C' ' 4' ' ' LYS . 10.0 t70 69.22 -25.82 0.15 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.904 ' HE3' HG21 ' C' ' 10' ' ' ILE . 14.3 m95 -38.25 -51.88 1.48 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.724 0.693 . . . . 0.0 110.462 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' C' ' 7' ' ' TRP . 21.1 t-20 117.03 -91.52 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.431 0.693 . . . . 0.0 112.851 178.199 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.567 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -95.67 -36.44 11.21 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.346 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.966 HG23 HD22 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.29 -60.17 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.775 -178.329 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.966 HD22 HG23 ' C' ' 10' ' ' ILE . 1.6 mm? -86.88 -12.59 47.34 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.061 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.723 0.297 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -57.51 -71.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.983 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 74.9 p -98.89 -2.38 37.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.729 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 0.793 ' O ' HD12 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -82.07 -2.18 51.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.489 0.185 . . . . 0.0 110.739 179.455 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 0.793 HD12 ' O ' ' D' ' 4' ' ' LYS . 2.0 pp 54.6 -7.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.519 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 9.9 t70 69.29 -25.91 0.15 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.879 ' HE3' HG21 ' D' ' 10' ' ' ILE . 14.4 m95 -38.21 -51.91 1.46 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.737 0.699 . . . . 0.0 110.472 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.624 ' CB ' ' O ' ' D' ' 7' ' ' TRP . 21.1 t-20 116.95 -91.36 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.489 0.716 . . . . 0.0 112.927 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 9' ' ' LYS . . . . . 0.579 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -95.8 -36.37 11.17 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -177.291 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.972 HG23 HD22 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.27 -60.27 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.794 -178.364 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.972 HD22 HG23 ' D' ' 10' ' ' ILE . 1.6 mm? -86.76 -12.63 47.56 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 176.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.051 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.87 0.367 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLU . . . . . 0.67 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -66.02 -36.54 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.336 0.589 . . . . 0.0 110.792 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.45 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -58.68 -22.73 57.83 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.788 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -47.12 12.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -74.2 -37.76 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.061 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.546 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -64.8 -45.61 85.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.943 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.456 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -57.03 -55.04 39.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.098 0.475 . . . . 0.0 110.051 179.41 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 t -72.84 -20.72 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.371 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.668 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -59.43 -43.35 93.1 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 3.5 mt -65.41 -46.34 80.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.386 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 7' ' ' MET . 8.1 mt -59.02 -37.13 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.787 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -56.35 -39.89 73.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.643 HG12 ' HG ' ' A' ' 35' ' ' LEU . 9.4 t -62.48 -65.27 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.392 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -61.14 -25.84 67.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.812 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' HIS . . . . . 0.463 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 41.9 t60 -77.03 -19.45 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -45.59 12.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.977 0.418 . . . . 0.0 110.309 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.743 ' CG ' HD21 ' A' ' 35' ' ' LEU . 3.3 m-85 -83.2 -61.12 1.94 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.98 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -63.02 122.02 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.93 -35.67 1.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.606 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.95 -29.86 70.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.52 -69.51 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.48 -41.06 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.508 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -66.93 -43.66 82.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.872 0.368 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.44 19.42 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.424 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 5.0 t-160 -134.87 -32.72 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.444 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.94 160.63 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 68' ' ' CYS . 5.6 mp -135.18 139.09 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.044 0.45 . . . . 0.0 111.005 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -91.79 179.47 5.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' N ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -55.54 -23.19 25.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.135 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -44.18 15.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.245 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' HB3' HD23 ' A' ' 27' ' ' LEU . 2.3 mm-40 -72.93 -68.14 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.537 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 33' ' ' LYS . 1.4 tm? -49.8 -64.78 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.57 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.827 ' HG3' HG11 ' A' ' 53' ' ' VAL . 26.7 ttmt -46.83 -43.94 18.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.548 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -47.28 -47.77 25.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.58 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.743 HD21 ' CG ' ' A' ' 17' ' ' TYR . 3.4 mm? -62.85 -50.26 71.65 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 121.351 0.596 . . . . 0.0 110.736 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.848 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.1 mt -47.42 -46.04 10.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.636 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -27.88 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.996 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 31.7 t30 -71.87 -30.47 65.45 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.641 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' LEU . 5.4 mt-10 -109.08 -55.38 2.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -89.44 51.08 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.74 179.788 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.0 p -67.78 -62.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -96.13 41.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -150.53 -61.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.73 HD22 ' HA ' ' A' ' 48' ' ' LYS . 2.6 mt 61.32 89.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.799 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.554 ' HB2' HD22 ' A' ' 40' ' ' LEU . 2.8 mt-10 -111.57 -50.28 2.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.76 3.66 36.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.48 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 1.077 HD13 HG13 ' A' ' 53' ' ' VAL . 0.2 OUTLIER 175.61 149.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.927 0.394 . . . . 0.0 110.457 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.888 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -121.36 -89.59 0.6 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.52 -179.01 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.71 ' O ' HG22 ' A' ' 52' ' ' VAL . 17.5 mm-40 -73.31 155.45 39.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -61.81 -33.16 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.69 -44.5 85.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.524 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.937 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.8 m -66.38 -35.36 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.536 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 1.077 HG13 HD13 ' A' ' 47' ' ' ILE . 2.4 t -55.73 -56.13 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-O 120.588 0.232 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.34 -39.51 57.16 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' THR . 10.3 ttmt -67.55 -42.15 83.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.539 178.235 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 52' ' ' VAL . 35.4 t -56.78 -62.2 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.428 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.5 ' HE1' ' N ' ' A' ' 29' ' ' LYS . 29.4 mtp -57.06 -24.11 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.29 -27.21 23.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.323 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.637 HG22 ' HB2' ' C' ' 8' ' ' ASN . 37.9 m -76.11 -28.63 57.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.027 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.948 HD11 ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -80.88 -51.11 8.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 0.0 110.697 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 t70 37.71 75.83 0.06 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.919 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' HB2' ' HB2' ' A' ' 72' ' ' GLU . 1.7 m120 -76.01 -61.26 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -174.76 35.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.95 7.74 14.86 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.633 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.45 26.47 15.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.72 18.52 5.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.957 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -117.28 155.78 28.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.948 0.404 . . . . 0.0 110.584 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.622 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.02 86.57 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.115 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.701 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -76.33 -172.24 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.107 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.639 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.8 t80 -74.5 -20.08 60.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.084 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.853 ' HB2' HG23 ' B' ' 82' ' ' THR . 17.6 pt20 -83.34 -29.04 28.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.471 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -86.08 -41.28 14.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.493 -179.242 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -72.79 -45.75 56.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.0 110.531 179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -62.96 -38.37 90.83 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -73.59 -24.32 60.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.774 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.948 ' CD1' HD11 ' A' ' 60' ' ' LEU . 79.2 t80 -68.02 -68.72 0.37 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.766 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.77 -31.04 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 121.482 0.658 . . . . 0.0 110.101 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.9 -39.79 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.962 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.77 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 2.0 ptt? -75.7 -44.78 40.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.655 0.264 . . . . 0.0 110.802 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.591 ' N ' ' HG3' ' A' ' 79' ' ' MET . 75.0 t -63.38 -38.13 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.119 0.485 . . . . 0.0 110.057 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.644 HG23 ' HB3' ' A' ' 85' ' ' HIS . 3.3 m -67.99 -51.42 47.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.478 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.835 HG23 ' HB2' ' B' ' 71' ' ' GLN . 98.4 m -51.1 -27.13 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.077 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.987 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -78.35 -70.93 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 5.3 p -87.25 -54.1 4.49 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.644 ' HB3' HG23 ' A' ' 81' ' ' THR . 5.4 t60 -46.01 -25.32 0.54 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.083 0.468 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -48.96 -64.3 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.616 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.58 -27.58 7.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.768 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 12.0 m-85 -71.71 -17.69 62.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.79 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.479 ' CB ' ' HA ' ' A' ' 85' ' ' HIS . 2.2 tt0 -138.87 87.95 2.25 Favored 'General case' 0 N--CA 1.46 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -113.73 -37.01 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.815 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.903 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' GLU . . . . . 0.668 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -66.03 -36.4 83.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 110.801 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -58.84 -22.71 59.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.781 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.66 -47.03 12.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -74.23 -37.73 63.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.072 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.546 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -64.71 -45.69 85.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.953 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.45 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -57.01 -54.96 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.998 0.427 . . . . 0.0 110.089 179.414 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 t -72.85 -20.85 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.344 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.67 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -59.31 -43.3 92.65 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.406 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 3.4 mt -65.59 -46.14 80.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.416 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 7' ' ' MET . 8.1 mt -59.06 -37.15 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.793 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -56.34 -39.97 73.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.59 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.639 HG12 ' HG ' ' B' ' 35' ' ' LEU . 9.4 t -62.35 -65.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -60.94 -25.99 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 15' ' ' HIS . . . . . 0.46 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 42.0 t60 -77.02 -19.41 57.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -45.57 12.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.887 0.375 . . . . 0.0 110.248 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.746 ' CG ' HD21 ' B' ' 35' ' ' LEU . 3.3 m-85 -83.19 -61.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.961 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -62.98 122.03 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.89 -35.62 1.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.614 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.97 -29.81 70.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.754 0.312 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.49 -69.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.43 -40.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -66.98 -43.64 82.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.33 19.54 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 5.0 t-160 -134.95 -32.66 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.437 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.711 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.95 160.58 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.63 HD13 ' O ' ' B' ' 68' ' ' CYS . 5.6 mp -135.13 139.08 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.961 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -91.81 179.48 5.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.191 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' N ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -55.66 -23.09 26.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.115 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.17 -44.1 15.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.177 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.47 ' HB3' HD23 ' B' ' 27' ' ' LEU . 2.3 mm-40 -72.89 -68.23 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 111.545 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.74 HD13 ' N ' ' B' ' 33' ' ' LYS . 1.4 tm? -49.68 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.606 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.821 ' HG3' HG11 ' B' ' 53' ' ' VAL . 26.7 ttmt -46.84 -43.9 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.586 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.496 ' HB3' ' CZ ' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -47.16 -47.91 23.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.617 -179.635 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.746 HD21 ' CG ' ' B' ' 17' ' ' TYR . 3.4 mm? -62.8 -50.28 71.62 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.288 0.566 . . . . 0.0 110.708 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.85 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.1 mt -47.44 -46.01 10.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.687 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.12 -28.02 42.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.038 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.454 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 31.8 t30 -71.95 -30.32 65.17 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.63 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' B' ' 35' ' ' LEU . 5.3 mt-10 -109.1 -55.44 2.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' B' ' 36' ' ' ILE . 0.2 OUTLIER -89.36 50.98 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.68 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.2 p -67.76 -62.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -96.04 41.04 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -150.42 -61.84 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' B' ' 48' ' ' LYS . 2.6 mt 61.36 89.61 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.8 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' GLU . . . . . 0.569 ' HB2' HD22 ' B' ' 40' ' ' LEU . 2.8 mt-10 -111.47 -50.4 2.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.982 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.7 3.62 36.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 1.08 HD13 HG13 ' B' ' 53' ' ' VAL . 0.2 OUTLIER 175.59 149.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.851 0.358 . . . . 0.0 110.445 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.883 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -121.3 -89.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.473 -179.05 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.706 ' O ' HG22 ' B' ' 52' ' ' VAL . 17.6 mm-40 -73.29 155.55 39.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -61.86 -33.15 73.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.74 -44.52 85.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.481 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.925 ' O ' HG23 ' B' ' 56' ' ' VAL . 26.1 m -66.32 -35.37 74.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.537 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 1.08 HG13 HD13 ' B' ' 47' ' ' ILE . 2.4 t -55.76 -56.08 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 120.568 0.223 . . . . 0.0 110.952 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.27 -39.6 57.11 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 59' ' ' THR . 10.2 ttmt -67.57 -42.08 83.14 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.545 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 52' ' ' VAL . 36.9 t -56.94 -62.1 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.434 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.446 ' SD ' HD12 ' B' ' 32' ' ' LEU . 29.1 mtp -57.04 -24.13 51.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.512 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.2 -27.4 23.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.334 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.644 HG22 ' HB2' ' D' ' 8' ' ' ASN . 37.3 m -75.96 -28.71 58.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.932 HD11 ' CD1' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -80.83 -50.99 9.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.764 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 t70 37.57 75.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.909 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASN . . . . . 0.403 ' HB2' ' HB2' ' B' ' 72' ' ' GLU . 1.7 m120 -76.01 -61.22 2.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 110.756 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -174.83 35.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.0 7.78 14.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.692 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.45 26.49 15.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.71 18.43 5.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.963 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.457 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -117.33 155.68 29.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.008 0.432 . . . . 0.0 110.593 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.63 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -100.86 86.5 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.217 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.711 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -76.22 -172.37 2.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.097 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.644 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 4.9 t80 -74.33 -20.17 60.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.784 0.325 . . . . 0.0 111.184 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.835 ' HB2' HG23 ' A' ' 82' ' ' THR . 17.6 pt20 -83.33 -28.93 28.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.475 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' B' ' 62' ' ' ASN . 0.0 OUTLIER -86.07 -41.46 14.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.415 -179.228 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.644 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -72.73 -45.86 56.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.296 . . . . 0.0 110.459 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -62.85 -38.44 90.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -73.56 -24.25 60.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.786 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.932 ' CD1' HD11 ' B' ' 60' ' ' LEU . 79.2 t80 -68.05 -68.64 0.37 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.81 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.8 -31.04 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 121.431 0.634 . . . . 0.0 110.093 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.86 -39.82 19.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.901 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.779 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 2.0 ptt? -75.72 -44.78 40.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.645 0.259 . . . . 0.0 110.805 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.588 ' N ' ' HG3' ' B' ' 79' ' ' MET . 74.8 t -63.39 -38.07 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.201 0.524 . . . . 0.0 110.08 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.633 HG23 ' HB3' ' B' ' 85' ' ' HIS . 3.3 m -67.94 -51.52 46.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.517 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.853 HG23 ' HB2' ' A' ' 71' ' ' GLN . 98.3 m -51.05 -27.12 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.054 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -78.35 -70.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 5.2 p -87.36 -54.02 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.633 ' HB3' HG23 ' B' ' 81' ' ' THR . 5.4 t60 -46.03 -25.32 0.54 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.071 0.463 . . . . 0.0 110.836 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -49.07 -64.17 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.634 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.6 -27.49 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 12.0 m-85 -71.89 -17.55 62.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.746 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.485 ' CB ' ' HA ' ' B' ' 85' ' ' HIS . 2.2 tt0 -138.96 87.85 2.24 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.894 0.378 . . . . 0.0 111.18 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -113.69 -36.96 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.79 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.952 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' THR . . . . . 0.661 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.79 0.328 . . . . 0.0 111.251 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.68 -68.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 110.818 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 20.0 p -98.34 -1.9 40.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.34 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.862 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -79.24 -3.22 44.81 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.114 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 0.862 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 44.68 13.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.987 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 22.4 t0 38.65 28.93 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.978 ' CD2' HD13 ' C' ' 11' ' ' LEU . 10.1 m95 -89.15 -30.02 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.637 ' HB2' HG22 ' A' ' 59' ' ' THR . 3.4 m-20 80.7 -162.99 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.479 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.45 -41.63 0.09 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.986 HD12 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.62 -60.28 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 118.129 0.422 . . . . 0.0 111.674 -178.406 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.986 HD12 HD12 ' C' ' 10' ' ' ILE . 1.3 mp -89.21 -14.51 35.82 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.127 179.934 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 1' ' ' THR . . . . . 0.647 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.742 0.306 . . . . 0.0 111.198 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -68.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 19.8 p -98.36 -1.92 40.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.31 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 0.871 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -79.17 -3.26 44.77 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.1 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 0.871 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 44.77 13.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.789 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.98 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 22.4 t0 38.8 28.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.976 ' CD2' HD13 ' D' ' 11' ' ' LEU . 10.0 m95 -89.17 -30.04 18.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.644 ' HB2' HG22 ' B' ' 59' ' ' THR . 3.4 m-20 80.61 -163.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.506 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.37 -41.67 0.08 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -177.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.989 HD12 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.53 -60.4 1.53 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 122.034 -0.416 . . . . 0.0 111.687 -178.452 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.989 HD12 HD12 ' D' ' 10' ' ' ILE . 1.3 mp -89.14 -14.59 35.82 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.423 ' N ' ' O ' ' D' ' 8' ' ' ASN . 94.0 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.922 0.392 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.96 -23.28 63.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.4 -25.86 61.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.094 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.8 -44.99 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.137 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.572 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -72.64 -55.72 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.603 -179.533 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' CA ' ' HB1' ' B' ' 6' ' ' ALA . . . -57.1 -50.49 72.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.748 0.309 . . . . 0.0 111.539 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.596 ' CE ' HG13 ' B' ' 77' ' ' VAL . 22.3 ttm -48.34 -66.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.77 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.19 -19.74 24.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.655 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -60.39 -42.07 95.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.181 0.515 . . . . 0.0 109.942 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.766 HD21 ' HE1' ' A' ' 74' ' ' MET . 0.8 OUTLIER -72.0 -37.19 69.86 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.662 179.031 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.506 HG23 ' CD1' ' A' ' 70' ' ' PHE . 3.7 mt -66.65 -41.52 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.86 -40.12 28.36 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.72 HG12 HD11 ' A' ' 35' ' ' LEU . 41.8 t -57.85 -48.5 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.033 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.547 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -70.58 -27.44 64.12 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.434 179.226 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.48 -22.15 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.42 -38.44 24.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.862 0.363 . . . . 0.0 110.46 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.422 ' CG ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 m-85 -82.8 -57.64 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -63.28 125.13 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.122 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.4 36.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.52 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -101.4 -29.63 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -100.66 -37.24 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.3 -38.56 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.652 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -57.97 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.16 173.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.542 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 19.8 t-160 60.96 41.05 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.966 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.626 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -174.84 148.44 1.08 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.176 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.633 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 2.4 mm? -129.11 138.47 51.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.189 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HA ' ' HE1' ' A' ' 57' ' ' MET . 0.5 OUTLIER -111.96 -177.72 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.297 0.57 . . . . 0.0 111.831 -178.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -58.51 -19.81 40.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.969 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -83.19 -56.63 3.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -74.75 -59.99 2.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.25 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.484 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.6 tm? -42.46 -62.45 0.97 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.803 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.549 ' CE ' HG12 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -52.87 -63.5 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 111.179 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 4.2 mt-10 -51.88 -26.23 9.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.345 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.72 HD11 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -67.83 -57.2 6.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 111.092 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.559 HG23 HD13 ' A' ' 40' ' ' LEU . 1.6 mt -45.68 -63.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.6 p30 -56.52 -21.97 29.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.733 0.301 . . . . 0.0 110.875 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 42.7 t30 -84.46 -41.3 16.74 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HG3' ' CG1' ' A' ' 13' ' ' VAL . 60.4 mm-40 -90.74 -35.45 14.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.559 HD13 HG23 ' A' ' 36' ' ' ILE . 7.9 mp -83.92 33.96 0.49 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.67 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p 45.88 29.09 0.67 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.699 0.285 . . . . 0.0 111.571 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 56.92 22.49 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.961 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -23.54 47.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt 65.98 58.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.584 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -79.58 -40.75 28.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.067 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -106.82 21.92 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.904 ' CG2' HG22 ' A' ' 53' ' ' VAL . 12.6 pt -153.27 83.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.035 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -63.5 -13.15 38.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.379 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -165.32 173.9 10.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.511 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -39.22 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.97 0.414 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.87 -44.12 96.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.908 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.4 m -61.53 -41.35 89.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.519 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.904 HG22 ' CG2' ' A' ' 47' ' ' ILE . 3.3 t -51.96 -56.52 5.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.678 0.275 . . . . 0.0 111.057 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -48.99 -41.34 34.04 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.027 0.441 . . . . 0.0 110.088 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' THR . 8.1 ttmt -70.23 -40.97 74.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.569 178.647 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 52' ' ' VAL . 47.6 t -57.76 -57.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.488 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.518 ' HE1' ' HA ' ' A' ' 28' ' ' LYS . 2.2 ppp? -59.02 -22.31 60.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.006 0.431 . . . . 0.0 109.961 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.75 -29.43 23.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.91 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.611 HG21 HG22 ' C' ' 10' ' ' ILE . 2.5 m -70.88 -30.09 66.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.784 HD12 ' SG ' ' A' ' 68' ' ' CYS . 16.5 mt -80.25 -19.97 45.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -49.47 99.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -83.59 -59.12 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 178.03 39.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' HA3' ' NZ ' ' A' ' 26' ' ' LYS . . . -95.67 -57.46 1.18 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.622 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -178.59 39.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 111.261 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.32 17.14 51.98 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.03 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -123.7 -177.48 3.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.723 0.296 . . . . 0.0 110.395 179.763 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.784 ' SG ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -107.86 86.33 2.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.81 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.57 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 4.6 p-10 -84.17 -162.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.714 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.506 ' CD1' HG23 ' A' ' 11' ' ' ILE . 3.6 t80 -71.84 -32.8 67.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.103 0.478 . . . . 0.0 110.669 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.94 -32.45 72.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.321 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 1.4 mm-40 -78.12 -22.6 48.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.741 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 1.1 m-30 -61.99 -46.85 87.42 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.766 ' HE1' HD21 ' A' ' 10' ' ' LEU . 19.1 mmt -63.38 -58.18 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.382 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.63 -25.05 24.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 80' ' ' VAL . 41.5 t80 -74.37 -73.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.718 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.594 HG13 ' CE ' ' B' ' 7' ' ' MET . 13.3 t -58.72 -19.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 74' ' ' MET . . . -81.66 -53.19 6.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.883 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.1 mtm -70.53 -45.59 65.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.229 0.538 . . . . 0.0 110.654 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.849 HG13 ' NE1' ' C' ' 7' ' ' TRP . 60.3 t -59.19 -55.21 25.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.142 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -71.57 -53.21 14.51 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.698 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.469 ' N ' ' CG2' ' A' ' 81' ' ' THR . 84.7 m -50.8 -23.44 2.75 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' C' ' 1' ' ' THR . . . -82.03 -71.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.881 0.372 . . . . 0.0 111.679 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.476 ' HB2' HG22 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -87.71 -53.01 5.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.015 -178.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.477 ' HA ' ' CA ' ' A' ' 89' ' ' GLU . 7.9 t60 -49.04 -22.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.943 0.401 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -49.24 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.462 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.6 -7.43 7.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -100.03 -17.36 17.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.477 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 67.19 -71.69 0.1 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -112.85 -65.15 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.959 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.884 0.373 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -59.97 -23.2 63.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.4 -25.83 61.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.89 -45.02 13.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.098 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -72.65 -55.77 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.56 -179.538 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.418 ' HB1' ' CA ' ' A' ' 6' ' ' ALA . . . -56.99 -50.57 72.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 111.501 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.594 ' CE ' HG13 ' A' ' 77' ' ' VAL . 22.3 ttm -48.34 -66.73 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.898 0.38 . . . . 0.0 110.735 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.01 -19.87 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.677 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -60.32 -42.03 94.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.118 0.485 . . . . 0.0 109.902 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.8 HD21 ' HE1' ' B' ' 74' ' ' MET . 0.8 OUTLIER -72.0 -37.18 69.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.633 179.129 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.512 HG23 ' CD1' ' B' ' 70' ' ' PHE . 3.7 mt -66.69 -41.52 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.92 -40.09 28.68 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.736 HG12 HD11 ' B' ' 35' ' ' LEU . 41.4 t -57.82 -48.54 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.023 178.439 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.548 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -70.66 -27.46 64.06 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.416 179.292 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -77.5 -22.01 51.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.35 -38.44 24.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.948 0.404 . . . . 0.0 110.517 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.419 ' CG ' ' HG ' ' B' ' 35' ' ' LEU . 2.2 m-85 -82.9 -57.62 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -63.28 125.11 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.36 36.4 1.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -101.39 -29.66 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -100.59 -37.23 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.24 -38.53 1.09 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.695 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -57.91 10.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.759 0.314 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.09 173.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 19.9 t-160 60.99 41.04 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.981 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.631 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -174.91 148.49 1.05 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.135 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.631 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.4 mm? -129.12 138.49 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.171 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.512 ' HA ' ' HE1' ' B' ' 57' ' ' MET . 0.5 OUTLIER -111.92 -177.81 3.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.263 0.554 . . . . 0.0 111.836 -178.873 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -58.54 -19.73 40.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.962 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.0 t -83.13 -56.66 3.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.831 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 0.5 OUTLIER -74.78 -59.92 2.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.294 -179.771 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.473 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.6 tm? -42.66 -62.36 1.01 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.765 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.548 ' CE ' HG12 ' B' ' 53' ' ' VAL . 0.1 OUTLIER -52.89 -63.49 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 111.218 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -51.74 -26.36 9.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.435 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.736 HD11 HG12 ' B' ' 13' ' ' VAL . 0.4 OUTLIER -67.78 -57.19 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 0.0 111.106 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.54 HG23 HD13 ' B' ' 40' ' ' LEU . 1.6 mt -45.71 -63.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ASN . . . . . 0.45 ' HB2' ' CD2' ' B' ' 42' ' ' HIS . 1.6 p30 -56.48 -21.97 29.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.779 0.323 . . . . 0.0 110.939 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -84.46 -41.42 16.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.961 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.415 ' HG3' ' CG1' ' B' ' 13' ' ' VAL . 60.4 mm-40 -90.69 -35.44 14.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.54 HD13 HG23 ' B' ' 36' ' ' ILE . 7.9 mp -83.87 33.98 0.49 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.591 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.9 p 45.87 29.09 0.67 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.721 0.296 . . . . 0.0 111.561 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' B' ' 37' ' ' ASN . 0.6 OUTLIER 56.92 22.52 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.985 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -23.39 47.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' B' ' 47' ' ' ILE . 1.5 mt 66.02 57.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.938 0.399 . . . . 0.0 110.631 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -79.56 -40.7 28.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.119 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -106.81 22.01 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.206 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.891 ' CG2' HG22 ' B' ' 53' ' ' VAL . 12.7 pt -153.23 83.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.006 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.6 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -63.46 -13.13 37.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.309 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.747 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.3 OUTLIER -165.41 173.83 10.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.47 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -39.17 61.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.73 -44.26 96.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.892 ' O ' HG23 ' B' ' 56' ' ' VAL . 25.4 m -61.48 -41.29 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.547 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.891 HG22 ' CG2' ' B' ' 47' ' ' ILE . 3.3 t -52.0 -56.49 6.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.689 0.281 . . . . 0.0 111.088 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -49.01 -41.3 34.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.048 0.451 . . . . 0.0 110.077 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' B' ' 59' ' ' THR . 8.1 ttmt -70.27 -40.98 74.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.571 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 52' ' ' VAL . 47.2 t -57.66 -57.77 8.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.526 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.512 ' HE1' ' HA ' ' B' ' 28' ' ' LYS . 2.2 ppp? -58.99 -22.4 60.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.979 0.419 . . . . 0.0 109.963 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.64 -29.39 24.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.617 HG21 HG22 ' D' ' 10' ' ' ILE . 2.6 m -70.98 -30.15 66.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.781 HD12 ' SG ' ' B' ' 68' ' ' CYS . 16.5 mt -80.22 -19.82 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -49.59 99.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -83.59 -59.09 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 177.98 39.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.63 -57.53 1.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.62 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -178.61 39.26 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.771 0.319 . . . . 0.0 111.252 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.29 17.16 51.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.98 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.484 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.6 OUTLIER -123.77 -177.51 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.653 0.263 . . . . 0.0 110.351 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.781 ' SG ' HD12 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -107.86 86.44 2.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.839 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.576 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 4.6 p-10 -84.32 -162.08 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.656 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' B' ' 11' ' ' ILE . 3.6 t80 -71.8 -32.92 68.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.482 . . . . 0.0 110.673 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.85 -32.4 72.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.328 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.458 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 1.4 mm-40 -78.29 -22.45 48.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.743 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 1.1 m-30 -62.07 -46.83 87.4 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.8 ' HE1' HD21 ' B' ' 10' ' ' LEU . 19.1 mmt -63.34 -58.34 7.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.308 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.58 -25.03 23.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.007 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.599 ' O ' HG23 ' B' ' 80' ' ' VAL . 41.5 t80 -74.36 -73.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.596 HG13 ' CE ' ' A' ' 7' ' ' MET . 13.3 t -58.65 -19.47 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.245 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' B' ' 74' ' ' MET . . . -81.75 -53.14 6.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.844 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.2 mtm -70.53 -45.55 65.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.323 0.583 . . . . 0.0 110.746 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.846 HG13 ' NE1' ' D' ' 7' ' ' TRP . 59.8 t -59.14 -55.26 24.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.149 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -71.61 -53.18 14.53 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.642 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.472 ' N ' ' CG2' ' B' ' 81' ' ' THR . 85.1 m -50.8 -23.43 2.75 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' D' ' 1' ' ' THR . . . -82.0 -71.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 0.0 111.627 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' CYS . . . . . 0.46 ' HB2' HG22 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -87.68 -52.92 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.059 -178.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.48 ' HA ' ' CA ' ' B' ' 89' ' ' GLU . 7.9 t60 -49.09 -22.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -49.31 -64.85 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.503 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.61 -7.36 7.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.751 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -100.06 -17.26 17.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.569 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.48 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 0.0 OUTLIER 67.05 -71.58 0.1 Allowed 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.826 0.346 . . . . 0.0 110.975 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -112.94 -65.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.867 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' THR . . . . . 0.43 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.785 0.326 . . . . 0.0 111.211 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -71.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.962 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.96 -4.79 31.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 0.804 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -80.68 -1.92 44.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.827 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 0.804 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 52.03 -7.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 123.901 0.88 . . . . 0.0 113.314 -179.373 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.586 ' H ' ' C ' ' C' ' 4' ' ' LYS . 22.9 t70 55.18 15.36 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.849 ' NE1' HG13 ' A' ' 80' ' ' VAL . 10.3 m0 -64.35 -32.54 74.19 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.719 ' O ' ' HA ' ' C' ' 12' ' ' SER . 50.0 m-20 102.21 -94.68 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.933 0.893 . . . . 0.0 113.29 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.471 ' H ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -96.26 -43.39 7.73 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -177.674 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.635 HG12 HG22 ' A' ' 56' ' ' VAL . 2.5 tp -52.05 -59.41 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.581 0.229 . . . . 0.0 110.803 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.605 ' H ' HG23 ' C' ' 10' ' ' ILE . 26.7 mt -92.23 -11.53 35.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.719 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 23.3 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.053 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 1' ' ' THR . . . . . 0.436 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.696 0.284 . . . . 0.0 111.22 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -71.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.987 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.95 -4.72 32.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.609 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 0.796 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -80.82 -1.85 44.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.766 -0.197 . . . . 0.0 110.765 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 0.796 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 52.05 -7.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.924 0.89 . . . . 0.0 113.246 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' D' ' 4' ' ' LYS . 22.9 t70 55.26 15.38 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.846 ' NE1' HG13 ' B' ' 80' ' ' VAL . 10.3 m0 -64.5 -32.45 74.09 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.721 ' O ' ' HA ' ' D' ' 12' ' ' SER . 50.0 m-20 102.1 -94.68 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.913 0.885 . . . . 0.0 113.295 178.027 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 9' ' ' LYS . . . . . 0.463 ' H ' ' CG2' ' B' ' 59' ' ' THR . 0.0 OUTLIER -96.2 -43.43 7.73 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -177.721 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.639 HD11 ' HB ' ' B' ' 52' ' ' VAL . 2.5 tp -52.04 -59.36 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.501 0.191 . . . . 0.0 110.776 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.62 ' H ' HG23 ' D' ' 10' ' ' ILE . 26.5 mt -92.31 -11.53 34.88 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.721 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 23.3 t . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.967 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . 0.402 ' HG ' ' CE1' ' B' ' 42' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.807 0.337 . . . . 0.0 111.191 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.16 -24.68 63.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.651 ' HB2' HD21 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -63.33 -52.41 61.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -40.38 65.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 1.8 mtpp -61.24 -57.39 12.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -56.66 -50.23 72.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' MET . . . . . 0.544 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.7 ttm -47.92 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 t -69.66 -17.13 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.853 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -61.21 -43.52 98.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.251 0.548 . . . . 0.0 109.78 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -71.44 -38.51 71.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.477 178.854 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 7' ' ' MET . 2.7 mt -66.49 -33.1 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.124 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -51.74 -47.87 63.87 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.518 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.808 HG12 ' HG ' ' A' ' 35' ' ' LEU . 15.9 t -55.11 -43.9 72.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.018 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.531 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -72.07 -28.1 63.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.891 178.905 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -66.62 -20.75 66.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.02 -51.86 6.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.997 0.427 . . . . 0.0 109.913 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.776 ' CD2' HD11 ' A' ' 35' ' ' LEU . 20.0 m-85 -84.63 -65.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . 0.508 ' CB ' ' CD2' ' A' ' 14' ' ' PHE . 1.9 t -51.94 133.53 32.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.525 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.649 ' HA2' ' HB3' ' A' ' 24' ' ' LYS . . . 58.71 79.71 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.238 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -62.35 1.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.733 0.302 . . . . 0.0 111.538 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.48 25.57 11.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.78 -32.39 5.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.435 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.79 -31.59 69.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.649 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -97.35 160.62 14.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 111.043 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' HIS . . . . . 0.61 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 2.7 t-80 -165.39 52.39 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.82 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.867 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.5 mtpp -164.02 168.38 19.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.365 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.867 HD13 ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -133.16 137.91 46.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.179 178.87 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 16.2 mttt -93.7 179.54 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HA ' ' HE3' ' A' ' 57' ' ' MET . 20.7 mmtp -52.69 -34.89 54.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.484 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -84.05 -37.42 22.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.738 -179.641 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.75 ' HG2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.6 -67.44 0.53 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.594 HD13 ' C ' ' A' ' 32' ' ' LEU . 3.1 tm? -50.88 -61.03 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.974 0.416 . . . . 0.0 111.207 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.912 ' HG3' HG11 ' A' ' 53' ' ' VAL . 26.0 ttmt -50.6 -33.73 23.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.338 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.621 ' HB3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -56.56 -45.3 81.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.808 ' HG ' HG12 ' A' ' 13' ' ' VAL . 2.7 mm? -60.19 -44.55 94.99 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 121.378 0.608 . . . . 0.0 110.643 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ILE . . . . . 0.963 ' CG2' HD12 ' A' ' 40' ' ' LEU . 1.7 mt -52.03 -50.98 32.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.826 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.57 -19.54 52.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.693 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' GLU . 57.3 t30 -82.32 -29.4 31.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.673 0.273 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -117.62 -38.67 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.434 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.963 HD12 ' CG2' ' A' ' 36' ' ' ILE . 1.1 mt -94.92 29.96 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.051 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.21 -32.13 70.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.413 ' CE1' ' HG ' ' B' ' 1' ' ' SER . 14.0 p80 -83.21 -30.39 27.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.05 85.95 1.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.588 ' H ' HD12 ' A' ' 44' ' ' LEU . 3.8 mp -70.33 71.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.665 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -61.45 125.69 24.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.265 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.869 ' O ' HD13 ' A' ' 47' ' ' ILE . 0.7 OUTLIER 70.78 10.27 7.0 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.397 179.732 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.95 HG13 HG21 ' A' ' 36' ' ' ILE . 4.9 mm -141.26 105.16 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.431 . . . . 0.0 109.999 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -106.44 -47.67 3.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.138 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 53' ' ' VAL . 24.1 mt-10 -120.91 172.15 8.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.12 -33.62 63.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.001 0.429 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.9 -44.46 85.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.596 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 56' ' ' VAL . 15.1 m -63.98 -40.63 89.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.677 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.928 HG22 HG23 ' A' ' 47' ' ' ILE . 1.6 t -53.62 -54.87 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.807 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -37.27 40.13 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HB3' HG12 ' C' ' 10' ' ' ILE . 0.9 OUTLIER -74.4 -34.78 63.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.156 178.281 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 52' ' ' VAL . 70.0 t -60.95 -62.67 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.767 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.438 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -55.0 -29.78 58.06 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.98 0.419 . . . . 0.0 110.131 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 57' ' ' MET . 1.6 mt-10 -75.0 -31.32 61.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.493 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' THR . . . . . 0.815 HG23 ' HB3' ' C' ' 8' ' ' ASN . 60.0 m -72.0 -17.39 62.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.34 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.964 HD13 ' HB2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -104.04 -24.04 13.25 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.663 179.288 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -44.05 124.9 4.1 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.586 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -121.04 -40.74 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.817 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -162.39 52.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' HA3' ' CE ' ' A' ' 26' ' ' LYS . . . -124.4 0.77 8.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.861 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.28 13.54 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.588 0.233 . . . . 0.0 111.215 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.65 -3.42 8.7 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.176 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -96.69 172.58 7.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.0 0.429 . . . . 0.0 110.438 179.854 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 68' ' ' CYS . . . . . 0.582 ' SG ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -128.91 85.83 2.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.643 179.541 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . 0.531 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 1.1 p-10 -77.65 -156.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.484 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' PHE . . . . . 0.495 ' CD1' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -73.32 -44.56 58.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.923 0.392 . . . . 0.0 111.088 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 1.4 pt20 -56.7 -30.02 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 1.5 mm-40 -72.46 -33.2 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.3 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PHE . . . . . 0.658 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -55.3 -42.93 74.33 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.651 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' MET . . . . . 0.442 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 24.8 mmm -58.74 -58.22 9.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.139 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' O ' ' HE2' ' A' ' 79' ' ' MET . . . -55.54 -23.5 27.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' PHE . . . . . 0.964 ' HB2' HD13 ' A' ' 60' ' ' LEU . 20.3 t80 -75.76 -74.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.236 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 73' ' ' PHE . 1.7 m -58.46 -27.16 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.383 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -75.68 -45.97 33.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' MET . . . . . 0.404 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 26.5 mtm -76.52 -54.71 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.442 . . . . 0.0 111.28 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.833 HG11 ' HG2' ' A' ' 46' ' ' GLU . 95.1 t -53.32 -55.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.087 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -63.93 -48.3 77.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.73 -178.928 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.421 ' N ' ' CG2' ' A' ' 81' ' ' THR . 27.6 m -55.22 -20.56 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.597 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.74 -72.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.411 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 p -87.94 -50.98 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.034 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' HIS . . . . . 0.464 ' HA ' ' CA ' ' A' ' 89' ' ' GLU . 12.5 t-80 -47.58 -26.1 1.35 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.968 0.414 . . . . 0.0 110.67 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -44.73 -64.13 0.76 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.437 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.95 -20.03 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.743 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CZ ' ' HB ' ' C' ' 3' ' ' THR . 11.7 m-85 -88.26 -17.82 29.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.903 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER 66.01 -72.06 0.08 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.633 0.254 . . . . 0.0 111.066 179.661 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 90' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.6 m-70 164.91 115.98 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.257 0.551 . . . . 0.0 110.039 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.901 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' SER . . . . . 0.413 ' HG ' ' CE1' ' A' ' 42' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.779 0.323 . . . . 0.0 111.19 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.97 -24.75 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' LEU . . . . . 0.642 ' HB2' HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -63.27 -52.44 62.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -40.32 65.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' LYS . . . . . 0.559 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 1.8 mtpp -61.2 -57.51 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -56.42 -50.44 71.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' MET . . . . . 0.532 ' O ' HG13 ' B' ' 11' ' ' ILE . 2.7 ttm -47.91 -66.4 0.41 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.72 -17.11 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.896 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -61.13 -43.68 98.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 0.0 109.767 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.463 HD23 ' O ' ' B' ' 6' ' ' ALA . 0.8 OUTLIER -71.27 -38.63 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.549 178.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 11' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 7' ' ' MET . 2.7 mt -66.53 -33.04 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -51.66 -47.85 63.63 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.62 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' VAL . . . . . 0.799 HG12 ' HG ' ' B' ' 35' ' ' LEU . 15.7 t -55.12 -43.92 72.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.036 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -72.06 -28.14 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.899 178.92 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -66.6 -20.78 66.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.946 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.04 -51.9 6.73 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' TYR . . . . . 0.76 ' CD2' HD11 ' B' ' 35' ' ' LEU . 20.4 m-85 -84.6 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' SER . . . . . 0.508 ' CB ' ' CD2' ' B' ' 14' ' ' PHE . 2.0 t -51.94 133.49 32.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.511 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' GLY . . . . . 0.643 ' H ' ' HG2' ' B' ' 24' ' ' LYS . . . 58.76 79.77 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.195 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -62.45 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.696 0.284 . . . . 0.0 111.434 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.45 25.61 11.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.074 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.81 -32.42 5.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.431 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.78 -31.63 69.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' LYS . . . . . 0.643 ' HG2' ' H ' ' B' ' 19' ' ' GLY . 0.1 OUTLIER -97.3 160.63 14.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.099 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 25' ' ' HIS . . . . . 0.609 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 2.7 t-80 -165.37 52.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.776 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LYS . . . . . 0.888 ' O ' HD13 ' B' ' 27' ' ' LEU . 1.4 mtpp -164.11 168.27 19.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LEU . . . . . 0.888 HD13 ' O ' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -132.99 137.91 46.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.789 0.328 . . . . 0.0 110.213 178.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -93.69 179.51 5.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.198 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' HA ' ' HE3' ' B' ' 57' ' ' MET . 20.7 mmtp -52.7 -34.95 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.399 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' B' ' 34' ' ' GLU . 0.9 OUTLIER -84.04 -37.34 22.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.729 -179.608 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 31' ' ' GLU . . . . . 0.752 ' HG2' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -71.72 -67.45 0.53 Allowed 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.929 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 32' ' ' LEU . . . . . 0.597 HD13 ' C ' ' B' ' 32' ' ' LEU . 3.1 tm? -50.72 -61.0 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.098 0.475 . . . . 0.0 111.294 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.935 ' HG3' HG11 ' B' ' 53' ' ' VAL . 26.1 ttmt -50.77 -33.65 24.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.267 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.608 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -56.64 -45.32 81.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.042 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LEU . . . . . 0.799 ' HG ' HG12 ' B' ' 13' ' ' VAL . 2.7 mm? -60.04 -44.55 94.59 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 121.444 0.64 . . . . 0.0 110.748 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ILE . . . . . 0.957 ' CG2' HD12 ' B' ' 40' ' ' LEU . 1.7 mt -52.15 -50.96 33.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.724 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.61 -19.45 52.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.718 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 34' ' ' GLU . 57.4 t30 -82.39 -29.3 30.93 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.081 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 35' ' ' LEU . 18.7 mt-10 -117.77 -38.6 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.364 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.957 HD12 ' CG2' ' B' ' 36' ' ' ILE . 1.1 mt -95.09 30.12 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.014 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.26 -32.16 70.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' HIS . . . . . 0.402 ' CE1' ' HG ' ' A' ' 1' ' ' SER . 14.0 p80 -83.09 -30.5 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.98 85.9 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.156 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' LEU . . . . . 0.577 ' H ' HD12 ' B' ' 44' ' ' LEU . 3.8 mp -70.31 71.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -61.53 125.63 24.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.235 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 46' ' ' GLU . . . . . 0.875 ' HG2' HG11 ' B' ' 80' ' ' VAL . 0.7 OUTLIER 70.84 10.22 6.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.412 179.776 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 47' ' ' ILE . . . . . 0.967 HG23 HG22 ' B' ' 53' ' ' VAL . 4.9 mm -141.23 105.1 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.05 0.453 . . . . 0.0 110.119 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' LYS . . . . . 0.488 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -106.36 -47.7 3.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.088 -179.178 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 49' ' ' GLU . . . . . 0.628 ' O ' HG23 ' B' ' 53' ' ' VAL . 24.0 mt-10 -120.78 172.14 8.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.396 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.25 -33.55 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.89 -44.54 84.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.527 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' VAL . . . . . 0.685 ' O ' HG23 ' B' ' 56' ' ' VAL . 15.0 m -63.97 -40.68 89.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.663 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' VAL . . . . . 0.967 HG22 HG23 ' B' ' 47' ' ' ILE . 1.6 t -53.52 -54.85 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.85 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.88 -37.15 41.88 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HB3' HG12 ' D' ' 10' ' ' ILE . 0.9 OUTLIER -74.34 -34.79 63.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.148 178.191 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 56' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 52' ' ' VAL . 69.8 t -60.98 -62.65 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.697 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' MET . . . . . 0.43 ' HG3' ' N ' ' B' ' 58' ' ' GLU . 0.0 OUTLIER -55.14 -29.7 58.28 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-O 120.995 0.426 . . . . 0.0 110.101 179.093 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 58' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' B' ' 57' ' ' MET . 1.6 mt-10 -74.98 -31.26 61.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.514 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 59' ' ' THR . . . . . 0.813 HG23 ' HB3' ' D' ' 8' ' ' ASN . 58.8 m -72.03 -17.38 62.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.317 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 60' ' ' LEU . . . . . 0.947 HD13 ' HB2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -104.09 -24.04 13.24 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.598 179.324 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -43.98 124.93 4.07 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.545 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -121.03 -40.79 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -162.39 52.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 64' ' ' GLY . . . . . 0.417 ' HA3' ' CE ' ' B' ' 26' ' ' LYS . . . -124.48 0.84 8.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.845 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.21 13.61 9.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.668 0.271 . . . . 0.0 111.245 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.6 -3.52 8.73 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.227 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLU . . . . . 0.476 ' HB3' ' HB3' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -96.7 172.67 7.75 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.971 0.415 . . . . 0.0 110.445 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 68' ' ' CYS . . . . . 0.593 ' SG ' HD12 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -128.97 85.7 2.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.684 179.617 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 69' ' ' ASP . . . . . 0.559 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 1.1 p-10 -77.52 -156.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.504 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 70' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -73.36 -44.5 58.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.968 0.413 . . . . 0.0 111.134 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 71' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 1.4 pt20 -56.67 -30.08 63.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.962 0.41 . . . . 0.0 110.917 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLU . . . . . 0.549 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 1.5 mm-40 -72.47 -33.16 66.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.269 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -55.36 -42.83 74.44 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 74' ' ' MET . . . . . 0.443 ' O ' ' CB ' ' B' ' 78' ' ' ALA . 24.2 mmm -58.83 -58.27 9.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.198 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' ALA . . . . . 0.427 ' O ' ' HE2' ' B' ' 79' ' ' MET . . . -55.44 -23.51 25.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' PHE . . . . . 0.947 ' HB2' HD13 ' B' ' 60' ' ' LEU . 20.4 t80 -75.82 -74.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.191 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 77' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 73' ' ' PHE . 1.7 m -58.29 -27.2 32.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.429 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -75.77 -46.01 33.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.077 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' MET . . . . . 0.427 ' HE2' ' O ' ' B' ' 75' ' ' ALA . 26.7 mtm -76.42 -54.83 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.438 . . . . 0.0 111.267 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' VAL . . . . . 0.875 HG11 ' HG2' ' B' ' 46' ' ' GLU . 94.0 t -53.2 -55.83 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.068 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 81' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' B' ' 85' ' ' HIS . 0.6 OUTLIER -63.97 -48.41 76.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.672 -178.831 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' B' ' 81' ' ' THR . 27.5 m -55.17 -20.59 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.54 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.64 -72.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.353 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 p -87.88 -51.05 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.059 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' HIS . . . . . 0.46 ' HA ' ' CA ' ' B' ' 89' ' ' GLU . 13.4 t-80 -47.39 -26.27 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.907 0.384 . . . . 0.0 110.685 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -44.56 -64.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.527 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.97 -19.92 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.718 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' D' ' 3' ' ' THR . 11.8 m-85 -88.32 -17.78 29.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.902 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' B' ' 90' ' ' HIS . 0.1 OUTLIER 66.02 -72.08 0.08 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.662 0.268 . . . . 0.0 111.079 179.657 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 90' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' B' ' 89' ' ' GLU . 1.6 m-70 164.95 116.08 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.274 0.559 . . . . 0.0 110.04 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.927 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -71.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' THR . . . . . 0.486 ' HB ' ' CZ ' ' A' ' 88' ' ' PHE . 10.6 t -98.43 1.68 47.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.297 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' LYS . . . . . 1.047 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -85.8 -2.39 58.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.014 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 5' ' ' ILE . . . . . 1.047 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 31.31 41.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.629 0.728 . . . . 0.0 111.14 -179.693 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 6' ' ' ASP . . . . . 0.503 ' HB2' ' HD3' ' C' ' 4' ' ' LYS . 4.8 t0 -59.61 78.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.686 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 7' ' ' TRP . . . . . 0.621 ' CD2' HG22 ' A' ' 80' ' ' VAL . 18.8 m0 -79.02 -54.34 6.12 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 177.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 8' ' ' ASN . . . . . 0.815 ' HB3' HG23 ' A' ' 59' ' ' THR . 6.4 t-20 178.36 -100.57 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.477 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' LYS . . . . . 0.411 ' HD2' ' HG2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -98.46 -33.16 11.13 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -179.395 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 10' ' ' ILE . . . . . 0.748 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.77 -55.08 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.931 -178.288 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 11' ' ' LEU . . . . . 0.748 HD23 HG23 ' C' ' 10' ' ' ILE . 3.5 mm? -89.02 -33.5 17.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.551 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 12' ' ' SER . . . . . 0.454 ' OXT' ' CE ' ' C' ' 4' ' ' LYS . 46.0 t . . . . . 0 C--O 1.248 0.996 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.119 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.75 0.309 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -71.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.654 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 3' ' ' THR . . . . . 0.479 ' HB ' ' CZ ' ' B' ' 88' ' ' PHE . 10.7 t -98.44 1.69 47.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.362 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 4' ' ' LYS . . . . . 1.031 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -85.84 -2.36 58.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.082 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 5' ' ' ILE . . . . . 1.031 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 31.36 41.73 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.585 0.707 . . . . 0.0 111.149 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 6' ' ' ASP . . . . . 0.497 ' HB2' ' HD3' ' D' ' 4' ' ' LYS . 4.8 t0 -59.62 78.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.737 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 7' ' ' TRP . . . . . 0.632 ' CD2' HG22 ' B' ' 80' ' ' VAL . 18.9 m0 -79.05 -54.26 6.19 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 8' ' ' ASN . . . . . 0.813 ' HB3' HG23 ' B' ' 59' ' ' THR . 6.4 t-20 178.31 -100.52 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.466 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 9' ' ' LYS . . . . . 0.41 ' HD2' ' HG2' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -98.55 -33.14 11.1 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 10' ' ' ILE . . . . . 0.744 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.74 -55.15 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.916 -178.271 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 11' ' ' LEU . . . . . 0.744 HD23 HG23 ' D' ' 10' ' ' ILE . 3.5 mm? -88.91 -33.52 17.27 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 12' ' ' SER . . . . . 0.458 ' OXT' ' CE ' ' D' ' 4' ' ' LYS . 46.3 t . . . . . 0 C--O 1.248 0.999 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.099 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.783 0.325 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.791 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.4 OUTLIER -60.17 -34.34 73.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.947 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.757 HD22 HD11 ' B' ' 40' ' ' LEU . 3.1 mp -60.37 -26.18 66.43 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.51 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.08 -37.4 22.1 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.359 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -81.97 -40.03 22.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.635 0.255 . . . . 0.0 110.524 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.522 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -64.6 -37.33 87.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.838 0.351 . . . . 0.0 110.427 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.432 ' O ' HG13 ' A' ' 11' ' ' ILE . 5.0 mtt -60.0 -61.03 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.117 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.7 -22.93 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.079 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.827 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -57.17 -41.62 79.6 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.247 0.546 . . . . 0.0 109.632 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.805 HD13 ' HE1' ' A' ' 74' ' ' MET . 3.1 mt -68.99 -48.42 63.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.856 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.883 HD11 ' CE1' ' B' ' 85' ' ' HIS . 7.7 mt -53.69 -53.12 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.368 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.81 -41.05 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.328 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 9' ' ' ALA . 21.9 t -57.36 -45.43 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.346 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.599 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -82.3 -35.28 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.774 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.445 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -70.41 -22.37 62.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -84.08 -46.71 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.364 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.455 ' CZ ' ' HG ' ' A' ' 35' ' ' LEU . 5.5 m-85 -82.78 -59.5 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -61.43 124.68 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.203 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.655 179.887 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mttm . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.939 0.399 . . . . 0.0 111.075 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.744 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 22.7 t-160 57.24 37.96 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.062 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.744 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -165.18 149.3 8.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.931 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 2.2 mp -137.47 132.48 33.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.954 0.407 . . . . 0.0 111.607 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -93.06 172.83 8.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.69 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 20.4 mttt -49.39 -28.78 5.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -83.21 -39.75 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.074 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.7 mm-40 -67.62 -45.09 76.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.524 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.22 -63.42 1.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -46.33 -65.14 0.6 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.68 -179.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -47.2 -46.37 23.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.21 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.75 HD11 HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -58.54 -46.43 86.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.13 0.49 . . . . 0.0 110.581 179.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.73 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.8 mt -59.61 -51.24 75.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.953 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.62 -14.93 63.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.167 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -88.13 -47.31 8.58 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.25 -38.41 12.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.757 HD11 HD22 ' B' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.244 0 CA-C-O 120.484 0.183 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.1 mt-10 -94.09 -176.64 4.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.617 0.246 . . . . 0.0 110.535 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -76.31 -40.51 51.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.886 0.374 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.97 -41.88 95.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.3 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.2 m -60.8 -44.43 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.216 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.624 HG23 ' O ' ' A' ' 49' ' ' GLU . 1.5 t -51.73 -51.18 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.627 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -47.39 -45.48 25.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.999 0.428 . . . . 0.0 109.976 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.538 ' HB3' HD13 ' C' ' 10' ' ' ILE . 0.6 OUTLIER -71.39 -35.75 71.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.487 178.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 52' ' ' VAL . 98.1 t -59.12 -56.3 17.94 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.06 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.303 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.421 ' HG2' ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -61.46 -26.35 67.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.037 0.446 . . . . 0.0 109.957 179.121 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.32 -31.63 48.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.304 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.756 HG22 ' HB2' ' C' ' 8' ' ' ASN . 8.3 m -64.32 -20.66 66.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.946 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 76' ' ' PHE . 1.2 mp -109.77 -9.82 14.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.458 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.95 102.09 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.899 0.38 . . . . 0.0 111.103 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -114.82 -35.11 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.726 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 -94.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.83 22.45 6.43 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.11 22.81 13.06 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.84 -53.27 0.81 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.943 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.742 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 1.8 pt-20 -148.64 -176.03 5.16 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.615 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.5 m -118.57 121.79 41.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 27' ' ' LEU . 30.1 p30 -93.88 -153.84 0.39 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.222 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.516 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.9 t80 -72.48 -34.91 68.02 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.661 0.267 . . . . 0.0 111.3 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.86 ' HA ' HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -74.16 -25.49 59.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.827 -179.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 39.4 mm-40 -79.7 -39.81 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 111.252 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -77.97 -32.93 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.398 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.805 ' HE1' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.23 -42.84 99.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.01 62.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.028 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.733 ' CD1' HD11 ' A' ' 60' ' ' LEU . 25.4 t80 -66.97 -70.73 0.23 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.823 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.474 ' O ' ' HB ' ' A' ' 81' ' ' THR . 1.1 p -48.6 -29.6 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.665 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.92 -46.06 13.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.952 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.88 -55.28 20.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.36 0.6 . . . . 0.0 110.102 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.724 HG22 ' CE2' ' C' ' 7' ' ' TRP . 78.7 t -56.8 -37.45 53.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.923 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 77' ' ' VAL . 8.7 m -78.07 -65.2 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.432 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.847 HG23 ' HA ' ' B' ' 71' ' ' GLN . 34.3 m -44.19 -27.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.466 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' C' ' 5' ' ' ILE . . . -82.3 -66.45 0.89 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -52.25 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.87 ' CE1' HD11 ' B' ' 11' ' ' ILE . 0.1 OUTLIER -48.58 -21.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.474 . . . . 0.0 110.663 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.96 -64.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.56 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.69 -15.95 11.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.077 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.181 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.761 0.315 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.817 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -60.1 -34.47 73.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.397 0.618 . . . . 0.0 110.96 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.757 HD22 HD11 ' A' ' 40' ' ' LEU . 3.0 mp -60.26 -26.17 66.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.447 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -84.09 -37.37 22.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.615 0.245 . . . . 0.0 111.369 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.582 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -82.03 -39.9 22.84 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.551 179.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.522 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -64.68 -37.32 87.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.931 0.396 . . . . 0.0 110.492 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.431 ' O ' HG13 ' B' ' 11' ' ' ILE . 5.0 mtt -60.01 -60.96 2.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.201 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.67 -23.03 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.843 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -57.19 -41.5 79.44 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.248 0.547 . . . . 0.0 109.692 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.883 HD13 ' HE1' ' B' ' 74' ' ' MET . 3.1 mt -69.06 -48.36 63.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.899 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.87 HD11 ' CE1' ' A' ' 85' ' ' HIS . 7.8 mt -53.79 -53.06 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.376 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.85 -41.01 61.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.361 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 9' ' ' ALA . 21.9 t -57.31 -45.45 85.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.371 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.588 ' HD2' HD11 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -82.25 -35.43 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.731 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.444 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.0 OUTLIER -70.27 -22.47 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -84.04 -46.62 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.996 0.427 . . . . 0.0 110.461 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.456 ' CE2' ' HG ' ' B' ' 35' ' ' LEU . 5.5 m-85 -82.95 -59.39 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -61.39 124.64 21.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.541 179.864 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 mttm . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.01 0.433 . . . . 0.0 111.065 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.737 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 22.7 t-160 57.13 38.03 28.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.067 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.737 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -165.17 149.32 8.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.931 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.755 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 2.2 mp -137.49 132.53 33.42 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 111.621 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' B' ' 67' ' ' GLU . 11.6 pttm -93.1 172.86 8.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.667 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 20.3 mttt -49.41 -28.85 5.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.277 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -83.09 -39.72 20.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.188 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.7 mm-40 -67.62 -45.11 76.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.489 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.19 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.519 ' HD3' ' H ' ' B' ' 33' ' ' LYS . 0.8 OUTLIER -46.38 -65.1 0.6 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.684 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -47.17 -46.46 23.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.138 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.756 HD11 HG12 ' B' ' 13' ' ' VAL . 0.3 OUTLIER -58.46 -46.46 86.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.153 0.501 . . . . 0.0 110.625 179.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.723 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.8 mt -59.54 -51.35 73.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.056 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.54 -14.88 63.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.183 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -88.09 -47.3 8.6 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.3 -38.42 12.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.21 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.757 HD11 HD22 ' A' ' 3' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.404 ' HB2' ' H ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER . . . . . 0 CA--C 1.531 0.217 0 CA-C-O 120.408 0.147 . . . . 0.0 111.178 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.624 ' O ' HG23 ' B' ' 53' ' ' VAL . 2.1 mt-10 -94.19 -176.64 4.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.694 0.283 . . . . 0.0 110.483 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -76.36 -40.52 50.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.96 -41.82 95.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.273 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.745 ' O ' HG23 ' B' ' 56' ' ' VAL . 18.3 m -60.69 -44.63 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.187 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.624 HG23 ' O ' ' B' ' 49' ' ' GLU . 1.5 t -51.6 -51.24 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -47.44 -45.39 25.64 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.047 0.451 . . . . 0.0 110.022 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.548 ' HB3' HD13 ' D' ' 10' ' ' ILE . 0.6 OUTLIER -71.4 -35.83 71.15 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.443 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 52' ' ' VAL . 98.1 t -59.11 -56.2 18.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.412 ' HG2' ' HE3' ' B' ' 33' ' ' LYS . 0.1 OUTLIER -61.6 -26.28 67.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.998 0.428 . . . . 0.0 109.92 179.135 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.3 -31.69 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.293 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.778 HG22 ' HB2' ' D' ' 8' ' ' ASN . 8.3 m -64.21 -20.73 66.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.966 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.732 HD11 ' CD1' ' B' ' 76' ' ' PHE . 1.2 mp -109.77 -9.77 14.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.475 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.94 102.11 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -114.9 -35.07 4.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.709 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.37 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.975 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.79 22.48 6.44 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.0 23.01 13.21 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.97 -53.25 0.81 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.936 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.755 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 1.8 pt-20 -148.63 -175.99 5.15 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.68 0.24 . . . . 0.0 110.394 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.615 ' O ' HD12 ' B' ' 27' ' ' LEU . 1.5 m -118.59 121.83 41.14 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.731 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.489 ' HA ' HD12 ' B' ' 27' ' ' LEU . 30.1 p30 -93.8 -153.85 0.38 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.222 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.521 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 4.9 t80 -72.5 -34.91 67.97 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.693 0.283 . . . . 0.0 111.315 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.847 ' HA ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -74.19 -25.54 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.77 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.403 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 39.8 mm-40 -79.6 -39.86 30.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.235 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -77.94 -33.0 51.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.376 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.883 ' HE1' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -62.18 -42.81 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 0.0 109.984 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.0 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.032 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.732 ' CD1' HD11 ' B' ' 60' ' ' LEU . 25.3 t80 -66.92 -70.76 0.23 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.813 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.464 ' O ' ' HB ' ' B' ' 81' ' ' THR . 1.1 p -48.7 -29.58 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.621 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.96 -45.95 13.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.929 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.93 -55.31 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.431 0.634 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.715 HG22 ' CE2' ' D' ' 7' ' ' TRP . 79.4 t -56.73 -37.52 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.935 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' B' ' 77' ' ' VAL . 8.7 m -78.02 -65.18 1.01 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.443 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.86 HG23 ' HA ' ' A' ' 71' ' ' GLN . 33.9 m -44.17 -27.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.531 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' D' ' 5' ' ' ILE . . . -82.36 -66.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 -52.11 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.883 ' CE1' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -48.69 -21.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.084 0.469 . . . . 0.0 110.569 179.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.9 -64.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.612 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.73 -15.95 11.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.159 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.755 0.312 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . 0.462 HG22 ' O ' ' C' ' 3' ' ' THR . 51.0 m -98.59 -1.23 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.67 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.847 ' O ' HD12 ' C' ' 5' ' ' ILE . 2.2 tmtt? -85.95 -0.87 56.56 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.722 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 0.847 HD12 ' O ' ' C' ' 4' ' ' LYS . 2.2 pp 57.15 -14.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.354 1.061 . . . . 0.0 113.82 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' C' ' 4' ' ' LYS . 23.5 t0 69.09 -10.11 0.55 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 177.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.811 ' HE3' HG21 ' C' ' 10' ' ' ILE . 6.9 m0 -50.89 -70.35 0.09 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.989 0.813 . . . . 0.0 109.567 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.756 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.6 OUTLIER 150.36 -93.43 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 177.633 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.737 ' H ' HG23 ' A' ' 59' ' ' THR . 1.8 tmmm? -97.29 -36.83 10.28 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.811 HG21 ' HE3' ' C' ' 7' ' ' TRP . 1.5 tp -52.76 -60.07 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 O-C-N 122.283 -0.26 . . . . 0.0 111.433 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.671 ' H ' HG23 ' C' ' 10' ' ' ILE . 11.2 mt -93.39 -29.27 15.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.202 0.525 . . . . 0.0 109.9 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 7.4 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.825 0.345 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -58.52 -71.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.048 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . 0.466 HG22 ' O ' ' D' ' 3' ' ' THR . 51.2 m -98.59 -1.11 41.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.551 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 0.837 ' O ' HD12 ' D' ' 5' ' ' ILE . 2.2 tmtt? -86.1 -0.86 56.65 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.607 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 0.837 HD12 ' O ' ' D' ' 4' ' ' LYS . 2.2 pp 57.22 -14.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.325 1.05 . . . . 0.0 113.747 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' D' ' 4' ' ' LYS . 23.5 t0 69.15 -10.1 0.55 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 177.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.81 ' HE3' HG21 ' D' ' 10' ' ' ILE . 6.9 m0 -50.9 -70.28 0.09 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.085 0.857 . . . . 0.0 109.575 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.778 ' HB2' HG22 ' B' ' 59' ' ' THR . 0.6 OUTLIER 150.38 -93.57 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 177.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . 0.725 ' H ' HG23 ' B' ' 59' ' ' THR . 1.8 tmmm? -97.23 -36.79 10.32 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.81 HG21 ' HE3' ' D' ' 7' ' ' TRP . 1.6 tp -52.74 -60.08 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 122.405 -0.184 . . . . 0.0 111.467 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.687 ' H ' HG23 ' D' ' 10' ' ' ILE . 11.2 mt -93.38 -29.32 15.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.195 0.521 . . . . 0.0 109.894 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 7.2 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.802 0.334 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.814 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.6 OUTLIER -61.97 -35.93 79.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.194 0.521 . . . . 0.0 110.847 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.701 HD13 ' HA ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -47.33 -44.47 23.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.567 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -80.71 -39.58 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.923 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 3.1 mppt? -59.74 -49.14 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.811 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' B' ' 6' ' ' ALA . . . -64.96 -47.85 76.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -56.49 -49.81 73.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 11' ' ' ILE . 24.7 t -78.78 -21.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.595 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.784 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -63.29 -39.13 93.72 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.467 0.651 . . . . 0.0 109.276 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB3' ' HE1' ' A' ' 73' ' ' PHE . 5.4 mt -68.98 -48.49 62.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.746 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 8' ' ' VAL . 18.1 mt -63.88 -40.15 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -38.17 67.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 9' ' ' ALA . 24.2 t -63.64 -55.96 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.74 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -72.65 -28.68 62.88 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.323 -179.393 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.495 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.4 t-80 -70.69 -20.72 62.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 111.204 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -41.56 16.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.626 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.692 ' CD1' HD11 ' A' ' 35' ' ' LEU . 1.8 m-85 -83.19 -56.99 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.38 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.649 ' HB3' HD11 ' A' ' 27' ' ' LEU . 18.4 p -49.6 -44.02 46.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.376 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.256 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.143 -179.813 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.897 0.38 . . . . 0.0 110.637 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.447 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 2.3 t-160 -179.88 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.038 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.954 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -111.32 159.6 17.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.259 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.954 HD13 ' O ' ' A' ' 26' ' ' LYS . 1.3 mm? -134.97 133.9 39.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.833 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.36 174.36 9.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.439 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -52.0 -27.87 14.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -82.96 -36.65 24.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.747 ' O ' HD22 ' A' ' 35' ' ' LEU . 36.3 mm-40 -72.6 -64.13 1.02 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.749 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.579 ' C ' HD13 ' A' ' 32' ' ' LEU . 2.9 tm? -48.26 -46.9 36.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.671 ' CE ' HG12 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -55.74 -38.8 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.936 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.472 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 3.1 mm-40 -62.7 -58.92 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.417 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.747 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.2 mm? -46.24 -35.52 5.3 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.022 0.439 . . . . 0.0 111.479 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.86 HG23 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -56.75 -63.72 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -71.22 -11.02 60.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.535 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 22.5 t30 -91.97 -18.95 22.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.501 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -147.64 50.01 1.07 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.407 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.86 HD12 HG23 ' A' ' 36' ' ' ILE . 72.6 mt . . . . . 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 110.844 178.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.636 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.566 0.222 . . . . 0.0 111.522 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 53' ' ' VAL . 4.1 tt0 -166.94 173.01 9.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.913 0.387 . . . . 0.0 110.755 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -73.67 -36.16 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.94 90.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.391 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.899 ' O ' HG23 ' A' ' 56' ' ' VAL . 34.4 m -63.22 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.349 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.708 HG23 ' O ' ' A' ' 49' ' ' GLU . 2.6 t -54.1 -56.73 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 120.693 0.282 . . . . 0.0 111.004 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.08 -40.0 44.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.025 0.44 . . . . 0.0 110.045 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HB3' ' CG1' ' C' ' 10' ' ' ILE . 1.6 ttmm -73.84 -30.6 62.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.724 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 52' ' ' VAL . 93.3 t -65.0 -59.12 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.986 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -60.96 -28.41 68.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.022 0.439 . . . . 0.0 109.935 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.91 -31.71 51.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.366 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.812 HG23 ' H ' ' C' ' 9' ' ' LYS . 35.0 m -76.67 -16.58 59.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.709 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.024 HD11 ' CD1' ' A' ' 76' ' ' PHE . 12.4 mt -101.06 -9.61 21.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.353 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -38.83 99.28 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.0 0.429 . . . . 0.0 111.695 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 10.6 t-20 -72.95 -8.64 56.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.275 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER 80.18 30.01 0.24 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.913 0.387 . . . . 0.0 110.531 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.24 -36.65 8.74 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.441 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -173.24 37.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.4 18.13 42.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.656 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.63 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -139.63 -174.47 3.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 27' ' ' LEU . 34.8 m -109.43 118.58 37.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.717 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -101.17 -167.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.646 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -73.1 -12.61 60.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 111.212 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -82.48 -30.31 29.99 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.621 ' OE1' HD13 ' A' ' 60' ' ' LEU . 2.7 pp20? -82.09 -35.66 28.4 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.646 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.63 -27.63 40.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.622 0.249 . . . . 0.0 110.918 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 34.4 mmm -69.38 -54.42 14.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.876 0.369 . . . . 0.0 110.119 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -64.03 -24.5 67.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.39 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 1.024 ' CD1' HD11 ' A' ' 60' ' ' LEU . 85.8 t80 -62.1 -74.9 0.08 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.158 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 81' ' ' THR . 4.0 m -44.78 -30.5 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.649 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.53 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.02 -34.3 22.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.102 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.707 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -82.78 -40.98 19.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 111.331 -179.355 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.811 HG21 ' CE1' ' A' ' 76' ' ' PHE . 60.1 t -70.32 -36.72 68.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 5.7 t -73.24 -47.49 42.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 78' ' ' ALA . 6.3 p -53.18 -30.06 35.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.576 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' C' ' 5' ' ' ILE . . . -75.89 -69.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.662 ' HB2' HG22 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -87.0 -55.1 3.98 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.692 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.442 ' HB3' ' O ' ' A' ' 81' ' ' THR . 3.2 t-160 -44.65 -27.45 0.49 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.159 0.504 . . . . 0.0 110.751 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 82' ' ' THR . 33.5 tp10 -45.08 -65.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.817 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.68 -27.15 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.789 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.789 0.328 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.784 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -62.07 -35.94 80.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.216 0.531 . . . . 0.0 110.776 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.718 HD13 ' HA ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -47.36 -44.52 24.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.576 -179.701 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.425 ' O ' HG23 ' B' ' 8' ' ' VAL . 0.7 OUTLIER -80.57 -39.58 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.959 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 3.1 mppt? -59.79 -49.11 78.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.408 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . . . -64.93 -47.94 75.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -56.5 -49.77 73.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.075 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.547 ' HA ' HD12 ' B' ' 11' ' ' ILE . 24.8 t -78.83 -21.97 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.536 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -63.28 -39.07 93.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.527 0.68 . . . . 0.0 109.357 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.435 ' HB3' ' HE1' ' B' ' 73' ' ' PHE . 5.4 mt -69.01 -48.58 62.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.708 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' B' ' 8' ' ' VAL . 18.1 mt -63.86 -40.06 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.82 -38.11 66.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 9' ' ' ALA . 24.3 t -63.71 -55.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.787 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.617 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -72.53 -28.75 63.04 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.35 -179.486 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.498 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 6.4 t-80 -70.58 -20.84 62.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.222 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.45 -41.45 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.608 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.695 ' CD1' HD11 ' B' ' 35' ' ' LEU . 1.8 m-85 -83.15 -57.1 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.328 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.637 ' HB3' HD11 ' B' ' 27' ' ' LEU . 18.8 p -49.59 -44.0 46.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.324 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.235 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.069 -179.822 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.957 0.408 . . . . 0.0 110.667 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.424 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 2.3 t-160 -179.92 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.009 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.938 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -111.29 159.59 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 -179.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.938 HD13 ' O ' ' B' ' 26' ' ' LYS . 1.3 mm? -134.89 133.93 40.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.001 0.429 . . . . 0.0 110.783 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.38 174.26 9.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.434 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -51.9 -27.8 14.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -83.02 -36.74 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.68 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.739 ' O ' HD22 ' B' ' 35' ' ' LEU . 36.5 mm-40 -72.56 -64.17 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.706 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.574 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.8 tm? -48.18 -46.92 35.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.185 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.667 ' CE ' HG12 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -55.73 -38.75 70.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.989 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.466 ' CB ' ' CE2' ' B' ' 17' ' ' TYR . 3.1 mm-40 -62.64 -58.99 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.358 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.739 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.2 mm? -46.28 -35.53 5.38 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 120.955 0.407 . . . . 0.0 111.463 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.845 HG23 HD12 ' B' ' 40' ' ' LEU . 1.0 OUTLIER -56.7 -63.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.16 -11.02 60.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.525 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.477 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 22.4 t30 -92.01 -18.92 22.96 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.263 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.518 ' O ' HD23 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -147.75 50.04 1.06 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.358 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.845 HD12 HG23 ' B' ' 36' ' ' ILE . 72.4 mt . . . . . 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 110.925 178.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.637 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.462 0.157 0 CA-C-O 120.573 0.225 . . . . 0.0 111.52 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.699 ' O ' HG23 ' B' ' 53' ' ' VAL . 4.1 tt0 -166.91 173.0 9.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.814 0.34 . . . . 0.0 110.789 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -73.61 -36.19 65.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.91 90.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.383 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 56' ' ' VAL . 34.3 m -63.25 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.384 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.699 HG23 ' O ' ' B' ' 49' ' ' GLU . 2.6 t -54.13 -56.67 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-O 120.655 0.264 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.03 -40.14 43.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 110.065 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.406 ' HB3' ' CG1' ' D' ' 10' ' ' ILE . 1.6 ttmm -73.74 -30.56 62.88 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.797 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.921 HG23 ' O ' ' B' ' 52' ' ' VAL . 93.6 t -65.02 -59.12 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.998 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -61.09 -28.24 68.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.0 0.428 . . . . 0.0 109.942 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.96 -31.75 51.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.333 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.811 HG23 ' H ' ' D' ' 9' ' ' LYS . 36.2 m -76.62 -16.55 59.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.732 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 1.017 HD11 ' CD1' ' B' ' 76' ' ' PHE . 12.2 mt -101.1 -9.7 21.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.304 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -38.73 99.21 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.981 0.419 . . . . 0.0 111.706 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' B' ' 63' ' ' ASP . 10.5 t-20 -72.82 -8.7 56.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.338 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' B' ' 62' ' ' ASN . 0.8 OUTLIER 80.07 30.17 0.25 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.986 0.422 . . . . 0.0 110.541 -179.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.36 -36.61 8.69 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.335 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -173.18 37.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.51 18.14 43.09 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.636 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.7 OUTLIER -139.68 -174.52 3.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' B' ' 27' ' ' LEU . 34.8 m -109.52 118.49 36.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.697 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -101.1 -167.75 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.647 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -73.13 -12.54 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 111.236 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -82.52 -30.39 29.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.929 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.633 ' OE1' HD13 ' B' ' 60' ' ' LEU . 2.7 pp20? -82.09 -35.59 28.45 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.647 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -79.61 -27.58 41.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.638 0.256 . . . . 0.0 110.994 -179.339 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.511 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 34.4 mmm -69.37 -54.47 14.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.877 0.37 . . . . 0.0 110.078 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -64.11 -24.41 67.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.382 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 1.017 ' CD1' HD11 ' B' ' 60' ' ' LEU . 85.8 t80 -62.23 -74.86 0.08 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.109 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.439 ' O ' ' CG2' ' B' ' 81' ' ' THR . 4.0 m -44.79 -30.51 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.539 ' O ' HG23 ' B' ' 82' ' ' THR . . . -84.94 -34.4 22.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.077 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.707 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 0.7 OUTLIER -82.71 -41.02 19.81 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.023 0.44 . . . . 0.0 111.289 -179.254 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.807 HG21 ' CE1' ' B' ' 76' ' ' PHE . 60.0 t -70.35 -36.73 68.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 77' ' ' VAL . 5.7 t -73.21 -47.41 43.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.799 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.539 HG23 ' O ' ' B' ' 78' ' ' ALA . 6.3 p -53.29 -29.94 36.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.573 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.443 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -75.97 -69.64 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.643 ' HB2' HG22 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -87.04 -54.96 4.04 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.433 ' HB3' ' O ' ' B' ' 81' ' ' THR . 3.2 t-160 -44.7 -27.49 0.5 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.081 0.467 . . . . 0.0 110.683 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 82' ' ' THR . 33.5 tp10 -45.08 -65.35 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.774 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.66 -27.15 6.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.037 179.818 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.742 0.306 . . . . 0.0 110.721 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . 0.58 ' O ' HD13 ' C' ' 5' ' ' ILE . 11.0 t -99.6 -9.51 23.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.52 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.689 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.8 OUTLIER -81.34 -2.03 47.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.73 0.3 . . . . 0.0 111.029 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 0.766 HD11 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER 49.8 6.77 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 123.347 0.659 . . . . 0.0 112.591 -179.085 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.504 ' H ' ' C ' ' C' ' 4' ' ' LYS . 23.6 t0 48.22 43.31 18.71 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.721 ' NE1' HG13 ' A' ' 80' ' ' VAL . 11.6 m95 -83.21 -69.79 0.61 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.178 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' C' ' 12' ' ' SER . 1.0 OUTLIER 154.79 -89.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.123 178.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.812 ' H ' HG23 ' A' ' 59' ' ' THR . 3.5 tmtm? -97.27 -49.37 4.97 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 -179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.865 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.26 -48.53 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -177.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.865 HD23 HG23 ' C' ' 10' ' ' ILE . 3.1 mm? -92.41 -32.97 14.73 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 11.4 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.194 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . 0.914 HG22 ' HB2' ' D' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.757 0.313 . . . . 0.0 111.302 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -94.04 -71.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.711 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . 0.582 ' O ' HD13 ' D' ' 5' ' ' ILE . 11.0 t -99.62 -9.57 23.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.585 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 0.703 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.8 OUTLIER -81.43 -2.0 47.85 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.009 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 0.768 HD11 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER 49.85 6.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 123.209 0.604 . . . . 0.0 112.618 -179.143 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.914 ' HB2' HG22 ' D' ' 1' ' ' THR . 23.5 t0 48.15 43.28 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.732 ' NE1' HG13 ' B' ' 80' ' ' VAL . 11.6 m95 -83.16 -69.78 0.61 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.239 177.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.487 ' O ' ' HA ' ' D' ' 12' ' ' SER . 1.0 OUTLIER 154.8 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.06 178.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . 0.811 ' H ' HG23 ' B' ' 59' ' ' THR . 3.5 tmtm? -97.33 -49.25 5.0 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.863 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.24 -48.6 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.033 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.863 HD23 HG23 ' D' ' 10' ' ' ILE . 3.1 mm? -92.42 -32.92 14.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 11.2 p . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.285 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.922 0.392 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.71 -24.23 63.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.819 HD13 HD21 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -59.97 -43.69 94.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.566 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -73.45 -33.59 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.73 -55.89 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -59.26 -41.38 88.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.403 ' CE ' HG12 ' B' ' 77' ' ' VAL . 5.1 mtm -58.49 -53.18 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.817 ' HA ' HG13 ' A' ' 11' ' ' ILE . 24.6 t -72.35 -26.3 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.224 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.53 -37.89 89.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.209 0.528 . . . . 0.0 109.835 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.444 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 4.8 mt -66.63 -41.82 87.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.67 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.945 HG23 ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -70.94 -40.22 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.407 179.47 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.59 -37.81 13.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.123 0.487 . . . . 0.0 110.026 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 9' ' ' ALA . 2.6 t -75.32 -44.97 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.113 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.498 ' C ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -67.15 -26.98 66.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.878 0.371 . . . . 0.0 110.584 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -81.74 -22.33 37.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -78.43 -40.96 34.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.021 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 3.0 m-85 -82.92 -59.61 2.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.881 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB2' HD13 ' A' ' 27' ' ' LEU . 17.8 t -70.5 119.46 14.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.586 179.873 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.835 0.35 . . . . 0.0 110.942 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 2.9 t-160 63.57 52.12 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.623 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -176.39 157.29 1.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.335 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 26' ' ' LYS . 2.7 mm? -134.58 136.66 43.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.617 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -117.02 -175.57 2.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.503 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HA ' ' HG3' ' A' ' 33' ' ' LYS . 2.4 mttp -58.1 -29.99 65.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -54.3 7.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.32 -60.5 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.366 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.497 HD13 ' C ' ' A' ' 32' ' ' LEU . 2.5 tm? -44.35 -67.45 0.28 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.88 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HG3' ' HA ' ' A' ' 29' ' ' LYS . 72.7 mttt -51.61 -57.48 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 111.512 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.09 -35.17 59.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.751 0.31 . . . . 0.0 110.486 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.683 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.8 tt -62.18 -40.22 95.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.126 0.488 . . . . 0.0 110.26 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.779 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.1 mt -52.41 -67.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.006 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -58.09 -18.68 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.444 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -81.06 -41.58 22.37 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.89 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -139.57 51.05 1.75 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 36' ' ' ILE . 85.2 mt . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 178.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.869 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.165 0 CA-C-O 120.698 0.285 . . . . 0.0 111.668 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.682 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.4 tp10 179.77 174.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.542 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.51 -24.74 63.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.917 0.389 . . . . 0.0 110.693 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.75 -40.61 40.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.33 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.869 HG11 ' HB2' ' A' ' 48' ' ' LYS . 2.7 m -63.0 -43.8 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.074 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -58.93 -52.48 60.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.029 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -47.66 -37.19 12.31 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.106 0.479 . . . . 0.0 109.965 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.494 ' HB3' HG12 ' C' ' 10' ' ' ILE . 0.8 OUTLIER -79.61 -37.49 36.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.089 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.5 t -54.2 -54.94 17.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.651 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -36.49 70.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -36.55 81.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.103 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.459 HG23 ' H ' ' C' ' 9' ' ' LYS . 0.2 OUTLIER -63.05 -23.99 67.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.278 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.613 HD11 ' CD1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -89.31 -29.83 18.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.776 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.51 100.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.348 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.45 -39.44 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.37 42.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.441 ' CA ' ' HE2' ' A' ' 26' ' ' LYS . . . -101.35 5.44 55.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.663 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t0 71.87 24.12 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.51 -33.8 4.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.779 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.516 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -105.59 -177.12 3.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.919 0.39 . . . . 0.0 110.55 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.582 ' HA ' ' HG3' ' A' ' 72' ' ' GLU . 14.2 m -114.78 112.84 23.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.604 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.475 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -100.63 -173.57 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.363 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.945 ' CD1' HG23 ' A' ' 11' ' ' ILE . 55.0 t80 -52.81 -32.09 42.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.126 0.489 . . . . 0.0 111.446 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.7 -38.93 76.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.582 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 2.8 mm-40 -75.58 -27.0 58.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.534 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.857 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -51.26 -53.72 32.85 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.18 0.514 . . . . 0.0 109.794 179.042 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.533 ' HG3' HG21 ' B' ' 81' ' ' THR . 18.5 mmt -61.67 -52.86 62.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.057 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.84 -38.97 52.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.118 0.485 . . . . 0.0 110.701 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.613 ' CD1' HD11 ' A' ' 60' ' ' LEU . 52.8 t80 -66.57 -72.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.736 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 73' ' ' PHE . 1.1 m -52.44 -26.25 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.439 ' HA ' ' HB3' ' B' ' 74' ' ' MET . . . -81.39 -51.65 8.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.912 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.4 mtm -65.35 -46.32 80.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.156 0.503 . . . . 0.0 110.18 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.818 HG22 ' CE2' ' C' ' 7' ' ' TRP . 59.9 t -60.81 -35.07 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.561 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 85' ' ' HIS . 1.6 m -71.57 -57.7 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.086 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.0 p -48.05 -25.98 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -81.75 -72.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.555 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.712 ' HB3' HG22 ' C' ' 5' ' ' ILE . 7.8 p -88.85 -51.92 5.38 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.65 ' HB3' HG23 ' A' ' 81' ' ' THR . 3.6 t60 -53.31 -18.0 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.824 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.73 -64.37 0.71 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.36 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -28.46 4.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 51.2 m-85 . . . . . 0 N--CA 1.454 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.488 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.846 0.355 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.0 -24.18 64.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.724 HD13 HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -59.88 -43.79 94.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.567 ' O ' HG23 ' B' ' 8' ' ' VAL . 0.4 OUTLIER -73.37 -33.61 65.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -55.76 11.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -59.35 -41.46 89.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtm -58.38 -53.17 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.798 ' HA ' HG13 ' B' ' 11' ' ' ILE . 24.8 t -72.45 -26.24 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.548 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.51 -37.96 89.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.205 0.526 . . . . 0.0 109.847 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.444 ' O ' ' CE2' ' B' ' 73' ' ' PHE . 4.8 mt -66.69 -41.66 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.69 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.96 HG23 ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -70.93 -40.25 76.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.442 179.386 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.68 -37.77 13.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.12 0.486 . . . . 0.0 109.949 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.553 ' CG1' HD21 ' B' ' 35' ' ' LEU . 2.6 t -75.33 -45.0 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.037 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.495 ' CD1' ' C ' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -67.11 -27.0 66.97 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.886 0.374 . . . . 0.0 110.626 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -81.76 -22.25 37.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.053 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -78.43 -40.87 34.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.005 0.431 . . . . 0.0 110.056 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' B' ' 35' ' ' LEU . 3.0 m-85 -82.9 -59.65 2.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.937 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.457 ' HB2' HD13 ' B' ' 27' ' ' LEU . 18.0 t -70.5 119.46 14.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.605 179.921 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.821 0.344 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.46 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 2.9 t-160 63.52 52.13 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.468 . . . . 0.0 110.973 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.618 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -176.32 157.26 1.7 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.343 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.618 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.7 mm? -134.55 136.6 43.14 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.623 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.7 OUTLIER -116.95 -175.47 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.503 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.41 ' HA ' ' HG3' ' B' ' 33' ' ' LYS . 2.4 mttp -58.15 -29.92 65.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -54.37 7.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.29 -60.47 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.385 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.491 ' C ' HD13 ' B' ' 32' ' ' LEU . 2.5 tm? -44.35 -67.49 0.28 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.865 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' B' ' 29' ' ' LYS . 72.7 mttt -51.63 -57.39 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.508 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.18 -35.1 59.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 110.525 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.674 ' O ' HD23 ' B' ' 35' ' ' LEU . 1.7 tt -62.21 -40.22 95.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.142 0.496 . . . . 0.0 110.287 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.8 ' HA ' HD12 ' B' ' 40' ' ' LEU . 3.1 mt -52.38 -67.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.974 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -57.99 -18.76 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.461 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -81.02 -41.62 22.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.89 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -139.53 50.98 1.76 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.819 HD21 HD13 ' A' ' 3' ' ' LEU . 83.6 mt . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 178.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.844 ' HB2' HG11 ' B' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.163 0 CA-C-O 120.725 0.298 . . . . 0.0 111.672 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.688 ' O ' HG23 ' B' ' 53' ' ' VAL . 2.4 tp10 179.71 174.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.549 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.44 -24.78 63.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.915 0.388 . . . . 0.0 110.634 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.74 -40.65 40.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.304 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.844 HG11 ' HB2' ' B' ' 48' ' ' LYS . 2.7 m -63.04 -43.82 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.975 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.688 HG23 ' O ' ' B' ' 49' ' ' GLU . 0.6 OUTLIER -58.89 -52.43 60.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.065 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -47.74 -37.11 12.62 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.101 0.477 . . . . 0.0 109.959 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.492 ' HB3' HG12 ' D' ' 10' ' ' ILE . 0.8 OUTLIER -79.63 -37.48 35.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.003 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.766 HG23 ' O ' ' B' ' 52' ' ' VAL . 53.6 t -54.22 -54.92 17.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.679 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -36.56 70.8 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.45 81.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.157 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.466 HG23 ' H ' ' D' ' 9' ' ' LYS . 0.2 OUTLIER -63.2 -23.93 67.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.251 179.375 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' B' ' 76' ' ' PHE . 0.4 OUTLIER -89.34 -29.87 18.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.773 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.55 100.95 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.295 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.45 -39.45 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.528 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.34 42.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.488 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.44 ' CA ' ' HE2' ' B' ' 26' ' ' LYS . . . -101.29 5.46 55.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.684 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t0 71.91 24.09 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.53 -33.79 4.18 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.848 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.517 ' HB3' ' CG ' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -105.54 -177.11 3.27 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.85 0.357 . . . . 0.0 110.623 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.558 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 14.0 m -114.8 112.83 23.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.466 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -100.65 -173.6 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.96 ' CD1' HG23 ' B' ' 11' ' ' ILE . 56.6 t80 -52.82 -31.92 41.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.971 0.415 . . . . 0.0 111.496 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.82 -38.98 76.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.558 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 2.8 mm-40 -75.45 -27.12 58.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.538 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.863 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -51.33 -53.78 32.74 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.094 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.567 ' HG3' HG21 ' A' ' 81' ' ' THR . 18.6 mmt -61.59 -52.9 62.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.022 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.88 -38.93 52.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.042 0.448 . . . . 0.0 110.681 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.602 ' CD1' HD11 ' B' ' 60' ' ' LEU . 52.7 t80 -66.52 -72.82 0.15 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.761 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.863 HG22 ' O ' ' B' ' 73' ' ' PHE . 1.1 m -52.45 -26.22 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.259 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 74' ' ' MET . . . -81.34 -51.74 8.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.929 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 47.6 mtm -65.27 -46.37 80.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.148 0.499 . . . . 0.0 110.227 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.818 HG22 ' CE2' ' D' ' 7' ' ' TRP . 58.7 t -60.77 -34.97 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.544 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.662 HG23 ' HB3' ' B' ' 85' ' ' HIS . 1.5 m -71.49 -58.02 3.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.4 p -47.92 -25.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -81.91 -72.21 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.524 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.707 ' HB3' HG22 ' D' ' 5' ' ' ILE . 7.8 p -88.86 -52.03 5.32 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.662 ' HB3' HG23 ' B' ' 81' ' ' THR . 3.7 t60 -53.25 -17.98 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.852 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.58 -64.36 0.71 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.404 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.87 -28.38 4.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.137 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 . . . . . 0 N--CA 1.454 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.376 179.144 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 9.0 mpt_? . . . . . 0 N--CA 1.46 0.035 0 CA-C-O 120.924 0.392 . . . . 0.0 110.531 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.18 1.3 44.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 1.012 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -78.92 -2.33 39.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.045 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 1.012 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 35.15 35.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-O 121.137 0.494 . . . . 0.0 111.333 -179.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -54.4 83.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.694 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.835 ' CD2' HD23 ' C' ' 11' ' ' LEU . 46.1 m0 -73.73 -62.16 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.259 0.552 . . . . 0.0 109.727 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.489 ' O ' ' HA ' ' C' ' 12' ' ' SER . 25.2 t-20 -178.64 -84.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.395 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.459 ' H ' HG23 ' A' ' 59' ' ' THR . 2.1 tmtm? -97.6 -50.68 4.4 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 1.027 HG23 HD22 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.78 -59.84 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.054 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 1.027 HD22 HG23 ' C' ' 10' ' ' ILE . 1.2 mm? -88.12 -11.85 45.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.07 -0.394 . . . . 0.0 110.5 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 39.8 t . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.193 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.576 0.227 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 9.0 mpt_? -49.69 -71.73 0.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.863 0.363 . . . . 0.0 110.538 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.22 1.41 44.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 1.003 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -79.04 -2.36 40.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.951 179.734 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 1.003 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 35.15 35.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.182 0.515 . . . . 0.0 111.369 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -54.46 83.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.718 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.841 ' CD2' HD23 ' D' ' 11' ' ' LEU . 46.0 m0 -73.69 -62.23 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.263 0.554 . . . . 0.0 109.757 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.485 ' O ' ' HA ' ' D' ' 12' ' ' SER . 25.3 t-20 -178.47 -84.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.416 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . 0.466 ' H ' HG23 ' B' ' 59' ' ' THR . 2.1 tmtm? -97.58 -50.71 4.39 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.997 HG23 HD22 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.79 -59.81 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.005 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.997 HD22 HG23 ' D' ' 10' ' ' ILE . 1.2 mm? -88.06 -11.86 45.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.072 -0.393 . . . . 0.0 110.576 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 40.1 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.037 -0.982 . . . . 0.0 111.277 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.756 0.313 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.488 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 5.5 pt-20 -55.4 -37.35 67.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.114 0.483 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.705 HD22 HD21 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -46.48 -41.49 14.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.318 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 8' ' ' VAL . 3.7 pt-20 -84.13 -28.74 27.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.027 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 8.7 mtpt -71.52 -43.94 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -48.46 73.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.565 ' SD ' HG13 ' B' ' 77' ' ' VAL . 7.7 mtm -59.32 -46.63 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 4' ' ' GLU . 24.8 t -78.12 -25.12 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.675 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -64.0 -38.37 90.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.482 0.658 . . . . 0.0 109.369 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.64 -66.5 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.027 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.565 ' CG2' ' HA ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -42.43 -38.57 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.048 179.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -53.6 -49.28 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.548 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.584 HG12 ' HG ' ' A' ' 35' ' ' LEU . 36.8 t -57.26 -41.27 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.517 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.698 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -77.79 -29.54 50.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.448 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.3 t60 -83.6 -15.87 47.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.105 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -48.74 14.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.841 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.4 m-85 -83.86 -55.02 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.677 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.26 117.36 3.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.897 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.903 0.382 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 11.8 t-160 -178.18 -28.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.698 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.32 160.56 16.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.83 0.348 . . . . 0.0 110.113 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 68' ' ' CYS . 3.1 mm? -122.44 138.05 54.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.149 0.5 . . . . 0.0 110.103 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -113.63 -177.6 3.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.436 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HB3' ' CE ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -51.05 -41.27 59.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.908 179.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.2 p -63.97 -55.59 21.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.461 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.803 ' O ' HD22 ' A' ' 35' ' ' LEU . 5.1 mt-10 -68.55 -68.0 0.43 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.734 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -41.35 -69.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.921 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.671 ' HG2' HG11 ' A' ' 53' ' ' VAL . 95.0 mttt -42.89 -43.68 4.19 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 111.458 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -53.05 -54.67 32.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.713 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.841 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.5 mm? -51.68 -35.36 42.24 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.936 0.398 . . . . 0.0 111.714 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.792 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -58.92 -47.73 88.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.013 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -88.1 -8.6 55.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.489 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 35.4 t30 -92.62 -25.07 18.46 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.7 pt-20 -151.04 53.21 0.86 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 36' ' ' ILE . 96.3 mt . . . . . 0 C--N 1.332 -0.164 0 CA-C-O 120.932 0.396 . . . . 0.0 110.854 178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.761 ' HB2' HG11 ' A' ' 52' ' ' VAL . 1.6 mtmm . . . . . 0 C--O 1.232 0.136 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.5 OUTLIER 168.76 178.51 0.03 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.519 0.676 . . . . 0.0 111.865 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG2' ' HD3' ' A' ' 33' ' ' LYS . 4.0 mt-30 -74.14 -22.4 59.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.142 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -81.21 -38.27 27.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.546 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.948 ' O ' HG23 ' A' ' 56' ' ' VAL . 20.6 m -63.01 -42.22 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.461 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.671 HG11 ' HG2' ' A' ' 33' ' ' LYS . 95.7 t -64.3 -47.05 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.342 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -54.31 -38.2 65.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 59' ' ' THR . 16.9 ttmt -78.98 -32.13 45.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.294 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 52' ' ' VAL . 43.1 t -56.64 -53.26 43.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.166 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -30.95 71.98 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -68.41 -32.69 72.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.478 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.582 HG22 ' HB3' ' C' ' 8' ' ' ASN . 1.2 m -61.19 -26.0 67.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.487 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.728 HD13 ' HB2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -113.38 -9.73 13.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.741 -179.324 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . 0.417 ' HB2' ' HA ' ' A' ' 58' ' ' GLU . 42.4 t0 -42.51 93.31 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.8 0.333 . . . . 0.0 111.603 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.5 m-20 -99.3 -46.96 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -160.08 28.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.34 8.79 58.97 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.628 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 61.54 25.92 15.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.52 -6.34 45.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.019 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.06 175.38 5.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.643 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.703 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -115.37 85.11 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.448 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.698 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 2.0 p-10 -81.2 -165.43 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 73' ' ' PHE . 8.2 t80 -70.57 -15.18 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.774 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.667 ' HA ' HG23 ' B' ' 82' ' ' THR . 7.8 pt20 -76.07 -37.74 57.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.183 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -25.67 35.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.472 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.698 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -54.97 -62.28 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.409 178.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.458 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 22.6 mmm -61.29 -50.84 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.387 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' HE2' ' A' ' 79' ' ' MET . . . -58.61 -20.03 43.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.975 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.728 ' HB2' HD13 ' A' ' 60' ' ' LEU . 14.4 t80 -85.32 -75.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.592 HG13 ' SD ' ' B' ' 7' ' ' MET . 21.7 t -52.22 -23.5 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.485 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 74' ' ' MET . . . -85.26 -47.93 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.454 ' CE ' HD23 ' A' ' 60' ' ' LEU . 23.5 mtm -68.47 -50.54 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.435 0.636 . . . . 0.0 110.155 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.835 HG13 ' NE1' ' C' ' 7' ' ' TRP . 59.4 t -58.92 -40.62 80.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.013 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.711 HG23 ' HB3' ' A' ' 85' ' ' HIS . 4.1 m -71.23 -57.18 4.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.477 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' HA ' ' B' ' 71' ' ' GLN . 58.9 m -48.36 -23.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB2' ' CB ' ' C' ' 6' ' ' ASP . . . -82.24 -71.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.802 0.334 . . . . 0.0 111.871 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.0 p -87.44 -51.74 5.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 0.0 112.132 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.711 ' HB3' HG23 ' A' ' 81' ' ' THR . 2.3 t60 -48.3 -24.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.587 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.26 -64.36 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.359 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.51 -28.06 5.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 . . . . . 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.702 179.287 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 43.7 p . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.679 0.276 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.516 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 5.6 pt-20 -55.45 -37.3 67.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.174 0.511 . . . . 0.0 111.057 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.68 HD22 HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -46.51 -41.51 14.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.377 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.637 ' O ' HG23 ' B' ' 8' ' ' VAL . 3.7 pt-20 -84.16 -28.64 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 8.8 mtpt -71.63 -43.86 65.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.025 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.45 73.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.206 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.592 ' SD ' HG13 ' A' ' 77' ' ' VAL . 7.6 mtm -59.3 -46.63 88.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 4' ' ' GLU . 25.3 t -78.18 -25.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.636 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -64.11 -38.19 90.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.484 0.659 . . . . 0.0 109.401 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.76 -66.49 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.024 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.563 ' CG2' ' HA ' ' B' ' 8' ' ' VAL . 0.0 OUTLIER -42.46 -38.54 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.067 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.419 ' N ' HG23 ' B' ' 11' ' ' ILE . 0.8 OUTLIER -53.62 -49.4 67.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.317 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.592 HG12 ' HG ' ' B' ' 35' ' ' LEU . 37.2 t -57.09 -41.42 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.442 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.705 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -77.72 -29.52 51.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.335 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.442 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.3 t60 -83.52 -15.96 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.151 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -48.74 14.04 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.85 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.4 m-85 -83.82 -54.99 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.69 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.33 117.34 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.957 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.941 0.401 . . . . 0.0 110.803 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.418 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 11.9 t-160 -178.16 -28.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.276 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.671 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.35 160.57 16.92 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 68' ' ' CYS . 3.1 mm? -122.49 138.0 54.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.042 0.448 . . . . 0.0 110.122 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.408 ' HA ' ' HE2' ' B' ' 57' ' ' MET . 2.2 pttt -113.61 -177.57 3.17 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.426 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.411 ' HB3' ' CE ' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -50.99 -41.41 59.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.821 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.1 p -63.99 -55.54 21.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.421 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.807 ' O ' HD22 ' B' ' 35' ' ' LEU . 5.1 mt-10 -68.54 -68.06 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.641 0.258 . . . . 0.0 111.665 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -41.32 -69.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.901 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.67 ' CG ' HG11 ' B' ' 53' ' ' VAL . 95.0 mttt -43.02 -43.65 4.36 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 111.434 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -53.01 -54.65 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.739 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.85 HD11 ' CD1' ' B' ' 17' ' ' TYR . 1.5 mm? -51.69 -35.38 42.54 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.666 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.825 ' HA ' HD12 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -58.97 -47.65 89.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.992 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -88.05 -8.74 55.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.411 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 34' ' ' GLU . 35.2 t30 -92.52 -25.23 18.48 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.206 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.533 ' O ' HD23 ' B' ' 40' ' ' LEU . 8.7 pt-20 -150.95 53.24 0.86 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' B' ' 36' ' ' ILE . 96.7 mt . . . . . 0 N--CA 1.463 0.198 0 CA-C-O 120.938 0.399 . . . . 0.0 110.803 178.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.794 ' HB2' HG11 ' B' ' 52' ' ' VAL . 1.6 mtmm . . . . . 0 C--O 1.231 0.103 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.569 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.4 OUTLIER 168.79 178.47 0.03 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.555 0.693 . . . . 0.0 111.764 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . 0.437 ' HG2' ' HD3' ' B' ' 33' ' ' LYS . 4.0 mt-30 -74.04 -22.36 59.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.222 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -81.18 -38.27 27.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.563 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.951 ' O ' HG23 ' B' ' 56' ' ' VAL . 20.9 m -63.05 -42.23 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.313 . . . . 0.0 110.456 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.67 HG11 ' CG ' ' B' ' 33' ' ' LYS . 93.9 t -64.28 -47.03 91.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.354 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -54.36 -38.15 65.76 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' B' ' 59' ' ' THR . 16.9 ttmt -79.04 -32.05 44.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.259 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.951 HG23 ' O ' ' B' ' 52' ' ' VAL . 42.9 t -56.73 -53.23 44.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.142 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -64.27 -30.95 71.98 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' B' ' 61' ' ' ASP . 0.8 OUTLIER -68.48 -32.73 72.93 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.47 178.319 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.588 HG22 ' HB3' ' D' ' 8' ' ' ASN . 1.2 m -61.19 -25.99 67.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.419 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.721 HD13 ' HB2' ' B' ' 76' ' ' PHE . 0.3 OUTLIER -113.32 -9.75 13.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.713 -179.336 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . 0.419 ' HB2' ' HA ' ' B' ' 58' ' ' GLU . 42.4 t0 -42.57 93.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.857 0.36 . . . . 0.0 111.675 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 60' ' ' LEU . 2.5 m-20 -99.28 -46.9 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.68 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -160.18 28.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.43 8.82 58.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.496 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 61.59 25.88 15.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.5 -6.39 45.33 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.047 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -98.97 175.36 5.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.614 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.695 ' O ' HD23 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -115.4 85.03 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.431 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.671 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 2.1 p-10 -81.08 -165.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.509 ' HA ' ' HB2' ' B' ' 73' ' ' PHE . 8.2 t80 -70.52 -15.29 62.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.997 0.427 . . . . 0.0 110.843 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.671 ' HA ' HG23 ' A' ' 82' ' ' THR . 7.9 pt20 -76.07 -37.73 57.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.183 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.62 -25.66 35.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.493 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.705 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -54.94 -62.22 1.8 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.463 178.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.451 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 21.8 mmm -61.31 -50.87 71.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.454 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.62 -20.0 43.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.039 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.721 ' HB2' HD13 ' B' ' 60' ' ' LEU . 14.4 t80 -85.34 -75.43 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.096 0.474 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.565 HG13 ' SD ' ' A' ' 7' ' ' MET . 21.6 t -52.19 -23.43 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.511 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 74' ' ' MET . . . -85.38 -47.82 9.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.446 ' CE ' HD23 ' B' ' 60' ' ' LEU . 23.5 mtm -68.57 -50.42 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 0.0 110.086 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.833 HG13 ' NE1' ' D' ' 7' ' ' TRP . 59.3 t -59.04 -40.5 80.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.033 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.712 HG23 ' HB3' ' B' ' 85' ' ' HIS . 4.1 m -71.36 -57.14 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.453 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.667 HG23 ' HA ' ' A' ' 71' ' ' GLN . 59.4 m -48.39 -23.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' D' ' 6' ' ' ASP . . . -82.21 -71.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.794 0.331 . . . . 0.0 111.878 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.9 p -87.39 -51.86 5.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.084 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.712 ' HB3' HG23 ' B' ' 81' ' ' THR . 2.3 t60 -48.22 -24.55 1.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.25 -64.29 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.367 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.57 -27.99 5.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.505 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 . . . . . 0 C--N 1.332 -0.194 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.672 179.334 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.689 0.28 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.57 -4.2 34.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.548 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.833 ' C ' HD13 ' C' ' 5' ' ' ILE . 1.3 tmtt? -80.23 -1.83 42.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.977 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 0.833 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 47.35 11.96 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -179.458 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.444 ' CB ' ' HB2' ' A' ' 83' ' ' ALA . 23.7 t0 37.66 28.86 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.835 ' NE1' HG13 ' A' ' 80' ' ' VAL . 10.3 m95 -70.97 -67.99 0.47 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.582 ' HB3' HG22 ' A' ' 59' ' ' THR . 35.1 t30 148.28 -97.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.598 0.759 . . . . 0.0 110.991 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -44.72 6.53 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.773 HG23 HD12 ' C' ' 11' ' ' LEU . 0.1 OUTLIER -54.2 -58.51 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.798 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.773 HD12 HG23 ' C' ' 10' ' ' ILE . 2.0 mp -93.82 -18.73 21.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.004 0.43 . . . . 0.0 110.323 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 13.0 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.991 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.817 0.341 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.29 -71.16 0.12 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.54 -4.2 34.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.575 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 0.827 ' C ' HD13 ' D' ' 5' ' ' ILE . 1.3 tmtt? -80.16 -1.96 42.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.966 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 0.827 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 47.34 12.02 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.436 ' CB ' ' HB2' ' B' ' 83' ' ' ALA . 23.8 t0 37.66 28.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.833 ' NE1' HG13 ' B' ' 80' ' ' VAL . 10.3 m95 -71.03 -67.91 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.588 ' HB3' HG22 ' B' ' 59' ' ' THR . 35.0 t30 148.32 -97.53 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.638 0.775 . . . . 0.0 111.005 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.93 -44.76 6.55 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.761 HG23 HD12 ' D' ' 11' ' ' LEU . 0.1 OUTLIER -54.22 -58.44 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -177.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.761 HD12 HG23 ' D' ' 10' ' ' ILE . 2.0 mp -93.83 -18.69 21.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.351 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 12.8 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.997 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.84 -29.44 70.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -50.59 70.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.66 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.6 tt0 -60.45 -46.15 91.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.669 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -56.6 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.677 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.641 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -58.05 -46.29 85.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.514 ' HE3' HG13 ' B' ' 77' ' ' VAL . 6.5 mtt -56.52 -51.09 69.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 4' ' ' GLU . 24.0 t -73.86 -26.3 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.445 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.714 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.36 -37.86 88.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.427 0.632 . . . . 0.0 109.602 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 4.7 mt -73.41 -49.51 26.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.118 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 8' ' ' VAL . 17.9 mt -58.69 -50.24 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.893 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.39 -51.51 14.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.576 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 9' ' ' ALA . 20.9 t -50.79 -52.22 17.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.877 0.37 . . . . 0.0 111.762 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -74.27 -31.37 62.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.407 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.2 t-80 -64.83 -19.85 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.762 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -52.4 6.34 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.961 0.41 . . . . 0.0 109.985 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.714 ' CD1' HD11 ' A' ' 35' ' ' LEU . 7.7 m-85 -83.89 -71.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.04 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.609 ' HB2' HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -45.89 137.85 5.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.138 -179.68 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.452 ' HA3' ' CB ' ' A' ' 24' ' ' LYS . . . . . . . . 0 CA--C 1.519 0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 113.213 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.452 ' CB ' ' HA3' ' A' ' 19' ' ' GLY . 10.6 tttp . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.964 0.411 . . . . 0.0 111.052 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -151.97 67.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.558 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.646 ' CE ' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -174.14 173.73 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.135 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.767 HD23 ' HB3' ' A' ' 31' ' ' GLU . 2.0 mp -136.74 136.95 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.493 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.522 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 2.7 mtmt -101.2 179.05 4.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.928 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 12.0 mttt -53.14 -28.61 26.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.4 m -80.79 -38.6 28.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.794 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.767 ' HB3' HD23 ' A' ' 27' ' ' LEU . 4.7 mt-10 -70.23 -63.87 1.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 HD13 ' A' ' 60' ' ' LEU . 3.5 tt -49.77 -55.89 12.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.129 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.838 ' CE ' HG12 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -45.49 -42.66 10.91 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.55 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.4 mm-40 -57.98 -68.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.495 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.714 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.3 mm? -40.34 -32.79 0.2 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.01 0.433 . . . . 0.0 111.869 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.819 HG23 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -56.57 -67.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.438 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -79.21 -8.21 58.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.407 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.539 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 4.5 t30 -76.74 -43.84 35.59 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.706 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.413 ' OE2' HG22 ' A' ' 13' ' ' VAL . 6.3 pt-20 -167.57 60.55 0.08 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.819 HD12 HG23 ' A' ' 36' ' ' ILE . 8.5 mt . . . . . 0 N--CA 1.464 0.226 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.683 178.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.136 0 CA-C-O 120.779 0.323 . . . . 0.0 111.432 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.809 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -160.53 -179.38 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.699 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -38.03 51.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 0.0 110.592 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.76 95.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.226 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.885 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.2 m -63.13 -42.07 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.23 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.838 HG12 ' CE ' ' A' ' 33' ' ' LYS . 5.3 t -51.03 -59.16 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.687 0.28 . . . . 0.0 111.32 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.29 -43.78 22.74 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.917 0.389 . . . . 0.0 110.381 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -71.38 -34.45 70.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.556 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 52' ' ' VAL . 82.2 t -57.31 -57.81 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.342 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.414 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -58.23 -33.57 69.48 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.709 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -34.27 75.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.429 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.742 HG23 ' H ' ' C' ' 9' ' ' LYS . 2.7 m -68.61 -14.08 62.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.913 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -85.57 -14.26 46.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.443 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.24 92.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.862 0.363 . . . . 0.0 111.363 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -113.12 -31.21 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -178.7 43.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.412 ' HA2' ' NZ ' ' A' ' 26' ' ' LYS . . . -116.57 5.72 18.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.641 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.44 25.51 15.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.956 0.408 . . . . 0.0 110.528 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.22 -33.54 3.98 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.522 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -97.05 177.84 5.46 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 110.208 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.654 ' O ' HD12 ' A' ' 27' ' ' LEU . 5.4 m -134.32 115.5 14.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.286 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.646 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 16.5 p-10 -88.47 -153.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.144 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.623 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -74.05 -31.62 62.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.678 0.275 . . . . 0.0 111.252 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -70.19 -29.16 65.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.779 -179.257 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.483 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 6.0 mm-40 -76.62 -50.99 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.391 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -64.36 -39.32 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.806 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.631 ' CE ' HG21 ' B' ' 81' ' ' THR . 63.6 mmm -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 0.0 110.024 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -71.41 -32.19 68.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.56 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.775 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 75.8 t80 -65.79 -71.28 0.2 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.459 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.466 HG13 ' CE ' ' B' ' 7' ' ' MET . 22.9 t -46.74 -29.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.06 0.457 . . . . 0.0 110.533 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.67 -38.77 17.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.108 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.775 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 1.4 ptt? -78.14 -41.94 33.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.181 0.515 . . . . 0.0 110.699 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.744 HG13 ' NE1' ' C' ' 7' ' ' TRP . 49.1 t -64.53 -44.26 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.613 HG21 ' CE ' ' B' ' 74' ' ' MET . 10.1 t -69.4 -41.0 77.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.134 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 78' ' ' ALA . 1.8 p -55.3 -32.26 62.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.05 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.746 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -77.14 -62.33 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.451 ' HB3' HG23 ' C' ' 5' ' ' ILE . 14.5 p -87.08 -49.37 7.36 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.415 ' CB ' ' OG1' ' A' ' 81' ' ' THR . 0.6 OUTLIER -50.56 -22.69 2.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.824 0.345 . . . . 0.0 110.785 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 82' ' ' THR . 14.5 tt0 -46.06 -63.71 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.017 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -30.6 6.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.492 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 . . . . . 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.434 179.314 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.854 0.359 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.68 -29.48 70.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.41 ' HG ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -62.42 -50.52 71.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.666 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . 0.645 ' O ' HG23 ' B' ' 8' ' ' VAL . 6.6 tt0 -60.41 -46.21 90.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.662 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -56.62 17.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -57.98 -46.32 85.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.466 ' CE ' HG13 ' A' ' 77' ' ' VAL . 6.5 mtt -56.54 -51.08 69.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 4' ' ' GLU . 23.9 t -73.96 -26.11 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.475 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.69 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.38 -38.0 89.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.393 0.616 . . . . 0.0 109.558 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.425 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 4.8 mt -73.36 -49.56 26.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.129 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' B' ' 8' ' ' VAL . 17.8 mt -58.65 -50.08 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.97 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.58 -51.49 15.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.52 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 9' ' ' ALA . 21.1 t -50.89 -52.17 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.343 . . . . 0.0 111.673 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -74.29 -31.32 62.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.713 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' B' ' 11' ' ' ILE . 1.2 t-80 -64.86 -19.87 66.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.99 -52.42 6.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.012 0.434 . . . . 0.0 109.977 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.714 ' CD1' HD11 ' B' ' 35' ' ' LEU . 7.7 m-85 -83.9 -71.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.058 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.602 ' HB2' HD11 ' B' ' 27' ' ' LEU . 0.5 OUTLIER -45.79 137.88 5.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.154 -179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.451 ' HA3' ' CB ' ' B' ' 24' ' ' LYS . . . . . . . . 0 CA--C 1.518 0.241 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.287 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.451 ' CB ' ' HA3' ' B' ' 19' ' ' GLY . 10.6 tttp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.987 0.423 . . . . 0.0 110.988 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -151.98 67.9 0.87 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.522 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.639 ' CE ' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -174.2 173.73 3.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.034 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.777 HD23 ' HB3' ' B' ' 31' ' ' GLU . 2.0 mp -136.71 137.07 39.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 0.0 110.475 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.54 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 2.8 mtmt -101.38 179.06 4.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.861 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 12.0 mttt -53.1 -28.62 26.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.2 m -80.68 -38.78 28.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.777 ' HB3' HD23 ' B' ' 27' ' ' LEU . 4.8 mt-10 -70.21 -63.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.45 HD11 HD13 ' B' ' 60' ' ' LEU . 3.5 tt -49.7 -55.9 12.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.197 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.832 ' CE ' HG12 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -45.45 -42.81 10.88 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.476 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 2.4 mm-40 -57.8 -68.41 0.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.517 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.715 ' H ' HD22 ' B' ' 35' ' ' LEU . 1.3 mm? -40.51 -32.69 0.21 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.955 0.407 . . . . 0.0 111.769 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.804 HG23 HD12 ' B' ' 40' ' ' LEU . 1.3 mt -56.68 -67.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.4 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -79.17 -8.25 58.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.472 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.555 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 4.5 t30 -76.81 -43.76 35.32 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.673 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.42 ' OE2' HG22 ' B' ' 13' ' ' VAL . 6.2 pt-20 -167.57 60.5 0.08 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.804 HD12 HG23 ' B' ' 36' ' ' ILE . 8.5 mt . . . . . 0 C--N 1.331 -0.231 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.712 178.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.66 0.267 . . . . 0.0 111.37 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.794 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -160.56 -179.51 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.709 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -38.01 51.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.964 0.412 . . . . 0.0 110.586 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.77 95.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.278 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.897 ' O ' HG23 ' B' ' 56' ' ' VAL . 4.2 m -63.19 -42.05 95.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.218 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.832 HG12 ' CE ' ' B' ' 33' ' ' LYS . 5.2 t -50.96 -59.28 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 120.689 0.28 . . . . 0.0 111.329 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.26 -43.83 22.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.908 0.385 . . . . 0.0 110.331 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -71.36 -34.35 70.39 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.619 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.897 HG23 ' O ' ' B' ' 52' ' ' VAL . 82.5 t -57.3 -57.85 8.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.339 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.41 ' HB2' HD13 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -58.22 -33.48 69.36 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -34.27 75.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.368 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.729 HG23 ' H ' ' D' ' 9' ' ' LYS . 2.7 m -68.64 -13.94 62.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.972 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -85.61 -14.34 45.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.475 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.16 92.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.835 0.35 . . . . 0.0 111.377 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -113.24 -31.02 6.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.736 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -178.83 43.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.418 ' HA2' ' NZ ' ' B' ' 26' ' ' LYS . . . -116.54 5.66 18.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.643 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.48 25.53 15.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 110.52 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.11 -33.44 4.03 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.506 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.54 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -97.03 177.84 5.47 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.836 0.35 . . . . 0.0 110.265 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.65 ' O ' HD12 ' B' ' 27' ' ' LEU . 5.5 m -134.33 115.5 14.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.25 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.639 ' HB3' ' CE ' ' B' ' 26' ' ' LYS . 16.4 p-10 -88.46 -153.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.142 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.624 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 1.0 OUTLIER -73.88 -31.77 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.292 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.407 ' HG2' ' OD2' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -70.14 -29.11 65.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.801 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.463 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 6.0 mm-40 -76.6 -51.05 12.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 111.401 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.624 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -64.33 -39.28 93.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.854 -179.742 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.613 ' CE ' HG21 ' A' ' 81' ' ' THR . 63.5 mmm -62.06 -35.3 78.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.016 0.436 . . . . 0.0 109.888 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -71.35 -32.22 68.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.598 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.773 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 75.9 t80 -65.84 -71.23 0.2 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.436 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.514 HG13 ' HE3' ' A' ' 7' ' ' MET . 22.6 t -46.65 -29.59 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.086 0.469 . . . . 0.0 110.616 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.587 ' O ' HG23 ' B' ' 82' ' ' THR . . . -85.51 -38.94 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.133 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.773 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 1.4 ptt? -77.98 -42.04 34.08 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.178 0.513 . . . . 0.0 110.691 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.745 HG13 ' NE1' ' D' ' 7' ' ' TRP . 49.1 t -64.49 -44.33 96.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.631 HG21 ' CE ' ' A' ' 74' ' ' MET . 10.1 t -69.29 -41.0 77.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.177 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.587 HG23 ' O ' ' B' ' 78' ' ' ALA . 1.8 p -55.32 -32.28 62.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.073 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.765 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -77.1 -62.27 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.437 ' HB3' HG23 ' D' ' 5' ' ' ILE . 14.6 p -87.17 -49.22 7.44 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.41 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 0.6 OUTLIER -50.63 -22.64 2.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.874 0.369 . . . . 0.0 110.821 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' B' ' 82' ' ' THR . 14.4 tt0 -45.92 -63.78 0.89 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.1 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -30.77 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.36 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.51 179.333 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.866 0.365 . . . . 0.0 110.618 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -98.25 1.55 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.344 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.714 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -90.41 -7.96 51.81 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.38 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 0.996 HD11 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER 48.82 12.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.746 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 30.0 t0 45.8 41.63 7.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.744 ' NE1' HG13 ' A' ' 80' ' ' VAL . 11.5 m95 -78.63 -69.08 0.59 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.629 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.9 OUTLIER 156.14 -88.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.671 178.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.742 ' H ' HG23 ' A' ' 59' ' ' THR . 1.3 tmtt? -97.56 -52.1 3.89 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.707 HG23 HD23 ' C' ' 11' ' ' LEU . 0.1 OUTLIER -54.09 -54.4 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.996 HD12 HD11 ' C' ' 5' ' ' ILE . 2.6 mm? -87.5 -23.97 24.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.071 0.462 . . . . 0.0 110.057 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 19.9 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.194 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . 0.436 HG22 ' HB2' ' B' ' 83' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.887 0.375 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -99.03 -69.1 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -98.34 1.55 47.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.305 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 0.693 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -90.47 -7.81 52.07 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 111.416 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 0.979 HD11 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER 48.76 12.61 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.765 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 29.9 t0 45.8 41.6 7.82 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.745 ' NE1' HG13 ' B' ' 80' ' ' VAL . 11.5 m95 -78.63 -69.07 0.59 Allowed 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.632 ' HB2' HG22 ' B' ' 59' ' ' THR . 0.9 OUTLIER 156.13 -88.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.628 178.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . 0.729 ' H ' HG23 ' B' ' 59' ' ' THR . 1.2 tmtt? -97.64 -51.97 3.93 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.697 HG23 HD23 ' D' ' 11' ' ' LEU . 0.1 OUTLIER -54.19 -54.36 21.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.979 HD12 HD11 ' D' ' 5' ' ' ILE . 2.6 mm? -87.57 -23.91 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.042 0.449 . . . . 0.0 109.988 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 20.3 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.178 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.863 0.363 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.419 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 4.4 mt-10 -69.15 -14.06 62.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.356 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.546 HD13 HD11 ' B' ' 40' ' ' LEU . 3.9 mt -82.26 -25.6 33.92 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -84.01 -43.03 15.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.567 0.222 . . . . 0.0 111.344 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -72.96 -49.45 29.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.367 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.479 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -57.83 -50.83 71.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.299 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.548 ' O ' HG12 ' A' ' 11' ' ' ILE . 23.2 ttm -48.33 -63.1 1.17 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.485 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 19.4 t -69.27 -22.69 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.025 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -60.29 -41.68 93.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.325 0.583 . . . . 0.0 109.933 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.567 HD11 ' CE ' ' A' ' 74' ' ' MET . 1.1 pp -71.06 -37.29 72.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.723 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.759 HD12 ' CE1' ' A' ' 70' ' ' PHE . 2.6 mm -64.72 -43.6 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.44 -40.61 18.47 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.529 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 HD11 ' A' ' 35' ' ' LEU . 39.4 t -58.05 -47.49 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.464 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.518 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -71.01 -26.92 63.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.617 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -81.4 -20.4 40.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.394 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -81.72 -38.28 26.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.97 0.414 . . . . 0.0 110.497 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.438 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 1.8 m-85 -83.02 -55.13 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -62.68 -48.82 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 0.25 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.755 -179.786 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.767 0.318 . . . . 0.0 110.965 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 9.8 t-160 -167.32 47.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.045 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.702 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -175.88 147.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.702 HD13 ' O ' ' A' ' 26' ' ' LYS . 2.1 mm? -135.04 139.16 44.57 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -115.99 -178.19 3.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.111 0.482 . . . . 0.0 111.807 -179.204 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -59.44 -19.05 44.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.858 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 m -83.46 -54.53 4.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -78.33 -55.08 5.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.357 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' C ' HD13 ' A' ' 32' ' ' LEU . 2.5 tm? -46.75 -61.04 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.591 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 mptt -54.98 -58.95 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.16 -41.48 65.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.573 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.943 HD11 HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -59.08 -50.89 72.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.16 0.505 . . . . 0.0 111.101 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.804 ' HA ' HD12 ' A' ' 40' ' ' LEU . 2.2 mt -56.0 -41.81 69.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.59 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.66 -13.44 59.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.451 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.48 -33.17 13.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.02 -37.53 5.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.525 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 36' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.003 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.203 0 CA-C-O 120.614 0.245 . . . . 0.0 111.643 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.603 ' O ' HG22 ' A' ' 52' ' ' VAL . 28.8 mt-10 -108.64 -176.11 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.136 0.493 . . . . 0.0 111.631 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -41.32 49.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.094 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -42.58 97.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 49' ' ' GLU . 8.9 m -62.13 -42.7 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.019 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.75 ' HA ' HG12 ' A' ' 56' ' ' VAL . 1.9 t -51.97 -43.51 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 120.624 0.25 . . . . 0.0 111.444 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 4.1 m-20 -58.8 -55.77 30.85 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HB3' HG12 ' C' ' 10' ' ' ILE . 2.5 ttmt -63.58 -43.3 97.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.75 HG12 ' HA ' ' A' ' 53' ' ' VAL . 10.6 p -64.14 -50.75 75.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.163 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.543 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 1.7 tmm? -58.29 -43.02 87.84 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -66.98 -31.54 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.522 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.844 HG23 ' H ' ' C' ' 9' ' ' LYS . 21.4 m -64.44 -30.08 71.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -87.17 -26.62 23.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.415 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -43.6 95.91 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.861 0.362 . . . . 0.0 111.306 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -109.14 -56.44 2.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.713 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.4 31.74 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.1 9.87 58.13 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.502 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.21 23.02 11.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.808 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.17 -26.05 10.79 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.616 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.546 ' HB3' ' HG3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -94.6 -177.58 4.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.755 0.312 . . . . 0.0 110.544 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.584 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -121.22 86.12 2.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.372 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.504 ' HA ' ' HA ' ' A' ' 26' ' ' LYS . 7.8 p-10 -73.53 -159.16 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.759 ' CE1' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -73.71 -30.85 63.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.38 . . . . 0.0 110.687 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.4 -39.49 87.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.373 0.606 . . . . 0.0 110.11 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.507 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 2.0 mm-40 -69.74 -31.81 70.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.827 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.42 -53.83 51.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.102 178.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.567 ' CE ' HD11 ' A' ' 10' ' ' LEU . 29.9 mmt -51.81 -54.31 30.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.546 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.13 74.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.708 ' HA ' HD21 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -55.63 -74.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.447 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 81' ' ' THR . 4.2 p -59.78 -36.67 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.182 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -65.86 -50.05 65.93 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.8 mtm -64.65 -67.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.261 0.553 . . . . 0.0 111.268 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.642 HG22 ' CD2' ' C' ' 7' ' ' TRP . 12.1 t -45.46 -27.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.341 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 77' ' ' VAL . 15.9 p -78.66 -52.75 7.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.877 0.37 . . . . 0.0 111.43 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.5 m -45.07 -33.47 2.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.746 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.626 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -82.67 -65.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.704 ' HB3' HG22 ' C' ' 5' ' ' ILE . 19.9 p -84.83 -45.45 12.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -178.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.552 ' C ' ' H ' ' A' ' 87' ' ' PHE . 1.7 t60 -55.46 -16.69 4.0 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.497 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -56.95 -0.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.843 177.338 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.552 ' H ' ' C ' ' A' ' 85' ' ' HIS . 60.2 m-85 83.79 34.65 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.449 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 36.2 p90 . . . . . 0 C--O 1.231 0.117 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.391 -178.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.878 0.371 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.426 ' HG2' ' HB1' ' A' ' 9' ' ' ALA . 4.4 mt-10 -69.19 -13.92 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.418 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.54 HD13 HD11 ' A' ' 40' ' ' LEU . 3.8 mt -82.28 -25.65 33.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.549 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.94 -43.07 15.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.593 0.235 . . . . 0.0 111.357 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -72.95 -49.42 29.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.859 0.362 . . . . 0.0 111.061 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.479 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -57.92 -50.85 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.538 ' O ' HG12 ' B' ' 11' ' ' ILE . 23.5 ttm -48.27 -63.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.492 ' HA ' HG12 ' B' ' 11' ' ' ILE . 19.0 t -69.26 -22.71 26.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.117 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -60.27 -41.78 94.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.291 0.567 . . . . 0.0 109.92 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.573 HD11 ' CE ' ' B' ' 74' ' ' MET . 1.1 pp -71.05 -37.14 72.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.727 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.74 HD12 ' CE1' ' B' ' 70' ' ' PHE . 2.6 mm -64.84 -43.57 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.525 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -40.61 18.17 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.899 HG12 HD11 ' B' ' 35' ' ' LEU . 39.5 t -58.04 -47.46 86.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.472 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.514 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -71.05 -26.86 63.27 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.618 179.466 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -81.46 -20.44 40.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.376 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.81 -38.11 26.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.539 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.436 ' CG ' ' HG ' ' B' ' 35' ' ' LEU . 1.8 m-85 -83.06 -55.15 4.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.05 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -62.76 -48.84 77.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.16 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.173 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.765 -179.772 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.743 0.306 . . . . 0.0 111.044 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.452 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 9.8 t-160 -167.37 47.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.688 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -175.87 147.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.688 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.1 mm? -135.02 139.26 44.69 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -116.0 -178.21 3.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.122 0.487 . . . . 0.0 111.731 -179.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -59.41 -19.15 44.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.891 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 44.4 m -83.37 -54.49 4.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.82 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -78.27 -55.11 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.374 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.465 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.5 tm? -46.85 -61.03 2.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.55 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 5.3 mptt -54.95 -58.99 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 111.11 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.11 -41.49 65.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.58 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.899 HD11 HG12 ' B' ' 13' ' ' VAL . 0.3 OUTLIER -59.15 -50.89 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.146 0.498 . . . . 0.0 111.037 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.799 ' HA ' HD12 ' B' ' 40' ' ' LEU . 2.2 mt -55.93 -41.92 69.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.553 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.6 -13.41 59.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.519 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -94.66 -32.98 13.14 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.14 -37.5 5.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.506 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' B' ' 36' ' ' ILE . 1.4 mp . . . . . 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.009 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.462 0.171 0 CA-C-O 120.697 0.284 . . . . 0.0 111.648 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.608 ' O ' HG23 ' B' ' 53' ' ' VAL . 28.9 mt-10 -108.73 -176.02 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.08 0.466 . . . . 0.0 111.59 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -41.35 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.115 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -42.61 97.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.194 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.591 HG22 ' O ' ' B' ' 49' ' ' GLU . 9.1 m -62.2 -42.7 96.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.038 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.755 ' HA ' HG12 ' B' ' 56' ' ' VAL . 1.9 t -51.92 -43.59 36.08 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-O 120.721 0.296 . . . . 0.0 111.416 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 4.1 m-20 -58.74 -55.78 30.68 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.562 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.429 ' HB3' HG12 ' D' ' 10' ' ' ILE . 2.4 ttmt -63.51 -43.31 97.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.755 HG12 ' HA ' ' B' ' 53' ' ' VAL . 10.6 p -64.2 -50.6 76.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.128 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.526 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 1.7 tmm? -58.43 -42.98 88.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -66.97 -31.58 72.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.619 179.101 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.84 HG23 ' H ' ' D' ' 9' ' ' LYS . 21.6 m -64.37 -30.05 71.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.695 HD21 ' HA ' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -87.27 -26.54 23.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.448 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -43.76 95.96 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.883 0.373 . . . . 0.0 111.276 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -109.06 -56.44 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.744 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.53 31.8 2.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.12 9.77 58.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.451 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.29 23.01 11.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.796 0.332 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.15 -26.14 10.72 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.549 ' HB3' ' HG3' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -94.6 -177.52 4.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.54 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.59 ' O ' HD23 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -121.25 86.19 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.373 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.479 ' HA ' ' HA ' ' B' ' 26' ' ' LYS . 7.9 p-10 -73.55 -159.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.74 ' CE1' HD12 ' B' ' 11' ' ' ILE . 0.3 OUTLIER -73.81 -30.83 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.025 0.441 . . . . 0.0 110.741 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.4 -39.39 87.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.353 0.597 . . . . 0.0 110.204 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.504 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 2.0 mm-40 -69.68 -31.91 70.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.889 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.1 OUTLIER -55.44 -53.75 52.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.128 178.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.573 ' CE ' HD11 ' B' ' 10' ' ' LEU . 29.9 mmt -51.8 -54.41 29.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.512 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.41 -33.2 75.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.695 ' HA ' HD21 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -55.59 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.429 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 81' ' ' THR . 4.3 p -59.84 -36.7 67.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.125 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -65.97 -49.96 66.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.76 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.8 mtm -64.73 -67.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.282 0.563 . . . . 0.0 111.257 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.652 HG22 ' CD2' ' D' ' 7' ' ' TRP . 12.3 t -45.53 -27.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.348 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.606 HG23 ' O ' ' B' ' 77' ' ' VAL . 16.0 p -78.72 -52.76 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.0 111.383 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -45.1 -33.45 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.764 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -82.58 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.726 ' HB3' HG22 ' D' ' 5' ' ' ILE . 19.9 p -84.78 -45.5 12.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.555 ' C ' ' H ' ' B' ' 87' ' ' PHE . 1.7 t60 -55.47 -16.64 3.98 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.493 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' B' ' 87' ' ' PHE . 0.4 OUTLIER -56.92 -1.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.8 177.397 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . 0.555 ' H ' ' C ' ' B' ' 85' ' ' HIS . 60.4 m-85 83.81 34.72 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -177.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 36.3 p90 . . . . . 0 CA--C 1.528 0.1 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.448 -178.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . 0.413 ' O ' ' O ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.458 -0.036 0 CA-C-O 120.893 0.377 . . . . 0.0 110.423 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -99.32 1.9 44.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 1.011 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -79.22 -3.17 44.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.549 179.577 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 1.011 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 33.79 37.62 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 121.354 0.597 . . . . 0.0 111.589 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.581 ' HB3' ' HD3' ' C' ' 4' ' ' LYS . 17.9 p-10 -60.82 83.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.989 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.642 ' CD2' HG22 ' A' ' 80' ' ' VAL . 20.6 m0 -75.47 -39.33 58.83 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.586 ' O ' ' HA ' ' C' ' 12' ' ' SER . 3.8 m-20 168.41 -93.63 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.743 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.844 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -97.92 -44.81 6.53 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.659 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.728 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.95 -59.24 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.728 HD23 HG23 ' C' ' 10' ' ' ILE . 3.8 mm? -91.73 -12.88 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 47.2 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.165 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . 0.787 HG22 ' OD2' ' D' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.678 0.275 . . . . 0.0 111.267 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . 0.404 ' O ' ' O ' ' B' ' 83' ' ' ALA . 0.4 OUTLIER -50.38 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.436 179.766 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -99.25 1.88 45.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.977 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 1.019 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -79.18 -3.12 44.14 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.495 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 1.019 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 33.85 37.48 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.31 0.576 . . . . 0.0 111.6 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.787 ' OD2' HG22 ' D' ' 1' ' ' THR . 17.9 p-10 -60.84 83.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.075 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.652 ' CD2' HG22 ' B' ' 80' ' ' VAL . 20.2 m0 -75.39 -39.4 59.14 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.585 ' O ' ' HA ' ' D' ' 12' ' ' SER . 3.8 m-20 168.49 -93.58 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.708 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . 0.84 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -98.0 -44.79 6.51 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.74 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.87 -59.24 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -178.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.74 HD23 HG23 ' D' ' 10' ' ' ILE . 3.8 mm? -91.77 -12.86 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 47.4 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.199 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.6 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.885 0.374 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.725 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.2 OUTLIER -61.81 -38.57 88.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.361 0.601 . . . . 0.0 110.745 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.493 HD12 ' OE2' ' B' ' 39' ' ' GLU . 0.7 OUTLIER -55.16 -23.05 19.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.834 179.752 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.44 -43.4 14.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.517 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -79.82 -34.38 39.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.698 0.285 . . . . 0.0 111.098 -179.562 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -63.97 -43.54 95.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.844 0.355 . . . . 0.0 110.633 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.5 ttm -58.86 -54.39 47.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.261 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.658 ' HA ' HG22 ' A' ' 11' ' ' ILE . 23.6 t -74.21 -17.54 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.466 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.714 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -66.22 -40.97 90.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.36 0.6 . . . . 0.0 109.453 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -65.56 -58.97 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.072 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -52.66 -38.36 27.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.504 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.7 -43.45 47.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.984 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.81 HG12 ' HG ' ' A' ' 35' ' ' LEU . 3.2 t -63.69 -34.15 66.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.559 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -79.7 -28.74 40.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.114 179.458 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.401 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.4 m170 -81.26 -15.96 54.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.01 -50.01 9.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.889 0.376 . . . . 0.0 110.001 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.834 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.7 m-85 -83.7 -60.54 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.433 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.418 ' HB2' HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.85 127.99 34.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.904 0.383 . . . . 0.0 111.07 -179.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.647 ' N ' ' HB2' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.244 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.689 179.128 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.647 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.528 0.127 0 CA-C-O 120.914 0.388 . . . . 0.0 111.327 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 14.8 t-160 -168.82 -33.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.962 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.675 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.56 157.08 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.385 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 31' ' ' GLU . 3.4 mp -134.58 138.82 44.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 -178.67 3.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.321 -179.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.434 ' N ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -47.08 -44.01 20.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.775 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -56.77 -50.21 72.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.725 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.788 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -69.89 -68.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.973 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' A' ' 53' ' ' VAL . 30.9 tp -42.37 -71.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.91 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.801 ' HG2' HG11 ' A' ' 53' ' ' VAL . 75.2 mttt -42.58 -46.44 4.93 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.772 0.32 . . . . 0.0 111.711 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -49.2 -58.45 4.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.834 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.2 mm? -52.92 -32.59 46.3 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.924 0.392 . . . . 0.0 111.523 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.001 HG23 HD12 ' A' ' 40' ' ' LEU . 1.5 mt -58.93 -53.3 49.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.71 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -83.81 -8.17 59.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.636 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.454 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 5.7 t-20 -97.65 -18.57 18.81 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.493 ' OE2' HD12 ' B' ' 3' ' ' LEU . 0.0 OUTLIER -150.03 42.43 0.86 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.173 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.001 HD12 HG23 ' A' ' 36' ' ' ILE . 59.1 mt . . . . . 0 N--CA 1.464 0.272 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.858 178.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.641 ' HB2' HG11 ' A' ' 52' ' ' VAL . 6.2 mtmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 111.253 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 52' ' ' VAL . 6.6 tt0 174.39 175.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.714 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -16.83 61.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.08 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -81.29 -40.01 24.34 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.228 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.97 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.8 m -64.63 -38.35 82.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.801 HG11 ' HG2' ' A' ' 33' ' ' LYS . 74.3 t -64.56 -51.29 69.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.125 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.4 -32.85 18.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.235 0.54 . . . . 0.0 109.715 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -85.38 -30.69 23.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.478 178.339 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 52' ' ' VAL . 55.0 t -61.15 -48.33 89.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.434 ' HE1' ' N ' ' A' ' 29' ' ' LYS . 3.8 ptp -68.11 -39.48 82.8 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -32.94 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.115 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.713 HG23 ' HB2' ' C' ' 8' ' ' ASN . 34.5 m -76.92 -20.16 56.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.105 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.935 HD11 ' CD1' ' A' ' 76' ' ' PHE . 7.3 mt -98.68 -17.88 18.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.04 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -40.59 93.26 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.066 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.48 -31.57 9.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.349 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 p30 179.1 38.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.624 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 26' ' ' LYS . . . -114.74 5.83 22.5 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.934 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 63.04 24.79 14.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.683 0.278 . . . . 0.0 111.198 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.64 18.34 11.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.67 -0.776 . . . . 0.0 113.15 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.36 159.51 33.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.791 0.329 . . . . 0.0 110.338 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.99 86.58 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.675 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -74.35 -175.01 2.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 0.0 110.386 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.657 ' CG ' HD12 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -63.27 -35.54 80.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.778 -179.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.567 ' HA ' HG22 ' B' ' 82' ' ' THR . 0.2 OUTLIER -74.19 -26.36 60.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.442 ' O ' HD22 ' A' ' 60' ' ' LEU . 5.2 mm-40 -77.96 -38.4 45.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.333 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -73.44 -31.81 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.655 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.433 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 6.7 mmm -61.9 -60.94 2.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 79' ' ' MET . . . -60.52 -23.53 64.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.752 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.935 ' CD1' HD11 ' A' ' 60' ' ' LEU . 20.7 t80 -67.37 -71.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.901 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 81' ' ' THR . 22.8 t -45.6 -29.92 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-O 121.108 0.48 . . . . 0.0 110.654 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.98 -44.65 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.969 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -69.53 -41.45 75.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.342 0.591 . . . . 0.0 110.571 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.626 HG13 ' CZ2' ' C' ' 7' ' ' TRP . 57.9 t -64.61 -42.99 96.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.843 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 77' ' ' VAL . 52.2 p -73.35 -49.13 28.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.06 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 78' ' ' ALA . 13.3 p -46.22 -31.81 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.904 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.62 -68.66 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -53.84 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.513 ' HB3' ' HB ' ' A' ' 81' ' ' THR . 6.2 t60 -47.11 -20.44 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.0 110.952 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.48 ' HA ' ' CE2' ' B' ' 70' ' ' PHE . 30.2 tt0 -55.03 -65.66 0.54 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.032 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -13.86 6.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 . . . . . 0 N--CA 1.451 -0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.626 179.45 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 84.9 p . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.714 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -61.95 -38.6 89.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.282 0.563 . . . . 0.0 110.689 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.493 HD12 ' OE2' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -55.02 -23.17 18.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.92 179.666 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.4 -43.27 14.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.611 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.537 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -79.85 -34.38 39.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.701 0.286 . . . . 0.0 111.086 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -63.94 -43.65 95.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.891 0.376 . . . . 0.0 110.533 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.5 ttm -58.84 -54.22 49.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.314 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.65 ' HA ' HG22 ' B' ' 11' ' ' ILE . 24.0 t -74.35 -17.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.381 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.725 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -66.35 -40.91 90.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.509 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -65.6 -58.94 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.099 179.081 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.669 HD12 ' CG ' ' B' ' 70' ' ' PHE . 0.8 OUTLIER -52.69 -38.3 27.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.513 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.73 -43.38 47.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.972 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.849 HG12 ' HG ' ' B' ' 35' ' ' LEU . 3.2 t -63.74 -34.12 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.615 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -79.54 -28.99 41.24 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.192 179.394 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.406 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.4 m170 -81.1 -15.92 54.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.9 -50.15 9.5 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.863 0.363 . . . . 0.0 110.031 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.818 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.66 -60.45 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.453 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.411 ' HB2' HD21 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -56.95 128.03 34.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.653 ' N ' ' HB2' ' B' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.453 -0.206 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.718 179.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.653 ' HB2' ' N ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 CA--C 1.527 0.089 0 CA-C-O 120.906 0.384 . . . . 0.0 111.331 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.444 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 14.8 t-160 -168.92 -33.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.703 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.68 157.01 20.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.419 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' B' ' 31' ' ' GLU . 3.4 mp -134.53 138.8 44.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 -178.73 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.355 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.443 ' N ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -47.11 -43.87 20.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.86 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -56.86 -50.17 73.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.646 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.797 ' O ' HD22 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -70.02 -68.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.889 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' B' ' 53' ' ' VAL . 30.5 tp -42.29 -71.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.911 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.784 ' CG ' HG11 ' B' ' 53' ' ' VAL . 75.2 mttt -42.48 -46.41 4.79 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 111.835 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.445 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -49.22 -58.47 4.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.001 -179.264 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.849 ' HG ' HG12 ' B' ' 13' ' ' VAL . 1.2 mm? -52.92 -32.58 46.33 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.936 0.398 . . . . 0.0 111.48 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 1.034 HG23 HD12 ' B' ' 40' ' ' LEU . 1.5 mt -58.97 -53.21 50.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.695 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 24.4 p30 -83.83 -8.27 59.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 178.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.448 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 5.8 t-20 -97.66 -18.49 18.85 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.967 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.493 ' OE2' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -150.08 42.38 0.85 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 1.034 HD12 HG23 ' B' ' 36' ' ' ILE . 59.6 mt . . . . . 0 N--CA 1.464 0.268 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.852 178.477 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.609 ' HB2' HG11 ' B' ' 52' ' ' VAL . 6.2 mtmt . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.74 0.305 . . . . 0.0 111.185 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.511 ' O ' HG22 ' B' ' 52' ' ' VAL . 6.6 tt0 174.32 175.16 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.724 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -16.72 61.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.092 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -81.4 -40.0 24.1 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.211 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.975 ' O ' HG23 ' B' ' 56' ' ' VAL . 14.5 m -64.66 -38.34 82.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.784 HG11 ' CG ' ' B' ' 33' ' ' LYS . 73.9 t -64.66 -51.29 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.104 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.3 -32.92 18.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.255 0.55 . . . . 0.0 109.712 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.1 OUTLIER -85.3 -30.75 23.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.448 178.361 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.975 HG23 ' O ' ' B' ' 52' ' ' VAL . 54.7 t -61.23 -48.21 90.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.642 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.443 ' HE1' ' N ' ' B' ' 29' ' ' LYS . 3.8 ptp -68.2 -39.36 82.46 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -32.79 74.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.121 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.711 HG23 ' HB2' ' D' ' 8' ' ' ASN . 33.6 m -77.02 -20.24 56.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.054 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.939 HD11 ' CD1' ' B' ' 76' ' ' PHE . 7.3 mt -98.73 -17.74 18.37 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.008 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -40.66 93.26 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.108 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.5 -31.5 9.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.419 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 179.15 38.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.65 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.75 5.7 22.51 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.915 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 63.09 24.71 14.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.616 0.246 . . . . 0.0 111.25 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.71 18.32 11.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.642 -0.79 . . . . 0.0 113.053 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.26 159.52 32.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.704 0.288 . . . . 0.0 110.434 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.0 86.51 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.703 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -74.31 -175.06 2.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.971 0.415 . . . . 0.0 110.375 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.669 ' CG ' HD12 ' B' ' 11' ' ' ILE . 0.2 OUTLIER -63.19 -35.6 80.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.767 -179.517 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.594 ' HA ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -74.2 -26.32 60.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.282 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.45 ' O ' HD22 ' B' ' 60' ' ' LEU . 5.1 mm-40 -77.87 -38.46 45.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.301 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -73.44 -31.92 64.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.564 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.431 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 6.7 mmm -61.86 -60.9 2.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' B' ' 79' ' ' MET . . . -60.5 -23.61 64.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.658 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.939 ' CD1' HD11 ' B' ' 60' ' ' LEU . 20.8 t80 -67.37 -71.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.903 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 81' ' ' THR . 22.9 t -45.53 -29.96 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.128 0.49 . . . . 0.0 110.669 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.679 ' O ' HG23 ' B' ' 82' ' ' THR . . . -86.0 -44.65 12.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.947 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' B' ' 76' ' ' PHE . 0.0 OUTLIER -69.56 -41.46 75.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.325 0.583 . . . . 0.0 110.499 -179.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.612 HG13 ' CZ2' ' D' ' 7' ' ' TRP . 57.7 t -64.68 -42.98 96.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.766 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.586 HG23 ' O ' ' B' ' 77' ' ' VAL . 53.6 p -73.27 -49.17 29.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.679 HG23 ' O ' ' B' ' 78' ' ' ALA . 12.9 p -46.4 -31.71 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.856 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' D' ' 1' ' ' THR . . . -80.55 -68.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -53.73 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.514 ' HB3' ' HB ' ' B' ' 81' ' ' THR . 6.2 t60 -47.33 -20.27 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.939 0.399 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.481 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 30.2 tt0 -55.12 -65.66 0.54 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.019 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.19 -13.8 6.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.799 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 . . . . . 0 N--CA 1.451 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.615 179.456 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 . . . . . 0 N--CA 1.457 -0.089 0 CA-C-O 120.693 0.282 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.72 -4.75 32.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.597 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.712 ' O ' HD12 ' C' ' 5' ' ' ILE . 0.5 OUTLIER -83.23 -1.07 52.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.857 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 0.958 HD13 ' CD1' ' C' ' 7' ' ' TRP . 1.9 pp 56.92 -13.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.125 0.97 . . . . 0.0 113.31 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.567 ' H ' ' C ' ' C' ' 4' ' ' LYS . 4.2 t70 43.41 59.98 2.79 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.958 ' CD1' HD13 ' C' ' 5' ' ' ILE . 10.9 m0 -98.7 -68.99 0.78 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.713 ' HB2' HG23 ' A' ' 59' ' ' THR . 0.8 OUTLIER 159.58 -95.88 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.311 178.51 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 -39.38 8.89 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.867 HG23 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.32 -59.72 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -177.451 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.867 HD12 HG23 ' C' ' 10' ' ' ILE . 1.0 OUTLIER -94.6 -18.37 21.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.074 0.464 . . . . 0.0 110.315 179.541 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 53.1 p . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.194 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . 0.516 HG22 ' CG ' ' D' ' 6' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.671 0.272 . . . . 0.0 111.311 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.45 -71.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.8 -4.71 32.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.543 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 0.722 ' O ' HD12 ' D' ' 5' ' ' ILE . 0.5 OUTLIER -83.32 -1.05 52.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.752 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 0.938 HD13 ' CD1' ' D' ' 7' ' ' TRP . 1.9 pp 56.94 -13.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.103 0.961 . . . . 0.0 113.362 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' D' ' 4' ' ' LYS . 4.3 t70 43.43 59.9 2.82 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.938 ' CD1' HD13 ' D' ' 5' ' ' ILE . 10.9 m0 -98.7 -68.9 0.78 Allowed 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.711 ' HB2' HG23 ' B' ' 59' ' ' THR . 0.8 OUTLIER 159.51 -95.84 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.307 178.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 -39.44 8.86 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.833 HG23 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.23 -59.65 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -177.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.881 HD22 HG12 ' D' ' 5' ' ' ILE . 1.0 OUTLIER -94.55 -18.46 21.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.045 0.45 . . . . 0.0 110.323 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 53.0 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.235 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.802 0.334 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -56.09 -23.72 35.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.73 HD23 ' CE ' ' A' ' 7' ' ' MET . 1.3 tt -66.91 -49.95 63.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -74.64 -38.47 62.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.6 mtpp -67.36 -49.65 63.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.266 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -64.02 -51.92 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.533 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.73 ' CE ' HD23 ' A' ' 3' ' ' LEU . 7.4 ptp -50.86 -49.13 59.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.682 0.277 . . . . 0.0 110.785 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 7' ' ' MET . 52.0 t -78.42 -23.64 13.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.513 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -58.02 -42.6 85.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.268 0.556 . . . . 0.0 109.838 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.571 HD12 ' HD2' ' A' ' 73' ' ' PHE . 1.5 pp -72.0 -40.29 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.765 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.714 HG12 ' O ' ' A' ' 7' ' ' MET . 3.0 mm -62.26 -43.57 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.12 -43.82 20.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.772 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.621 HG12 ' HG ' ' A' ' 35' ' ' LEU . 38.4 t -57.0 -41.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.398 178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -77.48 -27.95 52.13 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.673 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.683 ' CD2' HG22 ' A' ' 11' ' ' ILE . 24.3 m-70 -73.32 -24.52 60.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.813 0.339 . . . . 0.0 111.311 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.81 -52.25 5.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.76 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.803 ' CG ' HD11 ' A' ' 35' ' ' LEU . 5.1 m-85 -83.75 -57.88 3.03 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 14' ' ' PHE . 3.3 t -36.37 -33.81 0.05 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 C-N-CA 120.078 -1.058 . . . . 0.0 113.233 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.808 0.337 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 12.0 t-160 179.85 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.561 ' HG3' ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -111.47 156.81 21.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.725 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' A' ' 31' ' ' GLU . 4.8 mp -134.36 139.43 45.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.508 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 11.6 pttt -109.64 -178.39 3.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.243 0.544 . . . . 0.0 112.093 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.544 ' HB2' ' HE2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -45.6 -33.78 3.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.542 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -61.9 1.77 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.298 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.811 ' O ' HD22 ' A' ' 35' ' ' LEU . 3.2 mp0 -65.85 -59.13 4.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.779 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.716 HD12 ' CG1' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -41.84 -70.25 0.11 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.123 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.584 ' HG3' HG21 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -53.24 -28.26 26.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 111.339 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -60.45 -64.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.847 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.3 mm? -46.53 -32.31 3.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.999 0.428 . . . . 0.0 111.198 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.946 HG23 HD12 ' A' ' 40' ' ' LEU . 1.4 mt -53.27 -64.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.726 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.67 -7.94 59.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.716 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.535 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 4.6 t30 -86.16 -32.72 21.1 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.646 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 56.31 0.47 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.946 HD12 HG23 ' A' ' 36' ' ' ILE . 13.1 mt . . . . . 0 N--CA 1.464 0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.728 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.833 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.608 0.242 . . . . 0.0 111.572 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER 170.31 178.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 0.0 111.29 -179.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -76.95 -18.26 58.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.819 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.08 -40.03 24.76 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.079 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.98 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.5 m -62.42 -44.83 99.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.716 ' CG1' HD12 ' A' ' 32' ' ' LEU . 55.7 t -67.04 -47.81 81.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.224 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.04 -37.55 46.05 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HB3' ' CG1' ' C' ' 10' ' ' ILE . 14.0 ttmt -79.51 -35.6 39.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.918 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.1 t -56.62 -55.69 18.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.019 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -32.31 70.66 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.37 -33.7 74.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.369 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.906 HG22 ' HB2' ' C' ' 8' ' ' ASN . 0.2 OUTLIER -64.64 -24.13 67.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.247 179.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.687 HD13 ' HB2' ' A' ' 76' ' ' PHE . 2.8 mt -106.91 -9.89 16.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.431 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -44.11 95.16 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 111.269 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.412 ' HB3' ' NE2' ' A' ' 71' ' ' GLN . 10.2 t-20 -71.22 -61.63 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.694 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.4 39.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.32 -56.64 0.87 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.232 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.24 33.46 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.28 . . . . 0.0 111.651 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 2.88 59.27 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.952 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.561 ' HB3' ' HG3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -96.25 -176.81 3.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.447 0.624 . . . . 0.0 110.46 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.587 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -112.53 86.64 2.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.444 -179.497 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 8.8 p-10 -85.66 -175.32 5.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.497 ' CE1' ' HA ' ' B' ' 86' ' ' GLU . 0.0 OUTLIER -61.06 -32.17 71.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.007 0.432 . . . . 0.0 110.758 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.423 ' HG2' ' HG2' ' A' ' 72' ' ' GLU . 8.7 pt20 -61.17 -36.12 78.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.067 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -76.74 -30.81 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.372 179.676 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.571 ' HD2' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -51.86 -50.12 61.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.377 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.579 ' HG3' HG23 ' B' ' 82' ' ' THR . 10.1 mmm -65.63 -62.63 1.4 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.499 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.47 -27.91 2.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.035 0.445 . . . . 0.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.687 ' HB2' HD13 ' A' ' 60' ' ' LEU . 48.8 t80 -74.12 -74.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.518 HG23 ' HE2' ' B' ' 7' ' ' MET . 2.2 p -54.79 -31.22 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.815 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -70.96 -50.21 37.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.333 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.8 mtm -74.54 -60.9 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.238 0.542 . . . . 0.0 111.134 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.849 HG13 ' NE1' ' C' ' 7' ' ' TRP . 62.6 t -43.08 -46.93 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.087 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 85' ' ' HIS . 1.4 t -70.1 -48.38 57.84 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.153 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.574 HG23 ' HG3' ' B' ' 74' ' ' MET . 1.2 p -51.19 -27.25 8.36 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.959 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -82.44 -67.65 0.77 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 p -86.96 -51.25 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.483 ' CB ' ' OG1' ' A' ' 81' ' ' THR . 6.6 t60 -49.54 -23.45 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.063 0.459 . . . . 0.0 110.797 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' ' CE1' ' B' ' 70' ' ' PHE . 30.5 tt0 -49.15 -64.63 0.75 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.416 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.73 -25.17 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 179.097 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -56.16 -23.6 35.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.727 HD23 ' CE ' ' B' ' 7' ' ' MET . 1.3 tt -66.96 -49.95 63.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.68 -38.47 62.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 5.5 mtpp -67.27 -49.74 63.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.285 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -63.92 -51.98 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.556 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.727 ' CE ' HD23 ' B' ' 3' ' ' LEU . 7.4 ptp -50.87 -49.16 59.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.632 0.253 . . . . 0.0 110.775 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.57 HG23 ' HG3' ' B' ' 7' ' ' MET . 52.6 t -78.45 -23.53 13.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.508 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -58.12 -42.57 86.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.235 0.54 . . . . 0.0 109.784 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.577 HD12 ' HD2' ' B' ' 73' ' ' PHE . 1.5 pp -71.9 -40.41 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.79 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.705 HG12 ' O ' ' B' ' 7' ' ' MET . 2.9 mm -62.21 -43.54 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.11 -43.78 20.79 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.796 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.594 HG12 ' HG ' ' B' ' 35' ' ' LEU . 38.6 t -57.08 -41.24 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.416 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -77.47 -27.97 52.18 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.631 179.574 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.665 ' CD2' HG22 ' B' ' 11' ' ' ILE . 24.3 m-70 -73.42 -24.37 60.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.343 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.97 -52.12 5.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.702 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.795 ' CG ' HD11 ' B' ' 35' ' ' LEU . 5.2 m-85 -83.78 -57.86 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -178.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 14' ' ' PHE . 3.3 t -36.26 -33.92 0.05 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.139 -1.029 . . . . 0.0 113.213 -179.92 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.789 0.328 . . . . 0.0 111.372 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' B' ' 69' ' ' ASP . 12.1 t-160 179.93 -34.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.546 ' HA ' ' HB3' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -111.41 156.81 21.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.735 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' B' ' 31' ' ' GLU . 4.8 mp -134.32 139.37 45.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.823 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 11.5 pttt -109.69 -178.4 3.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.256 0.55 . . . . 0.0 112.074 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.531 ' HB2' ' HE2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -45.59 -33.78 3.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.553 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -61.87 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.807 ' O ' HD22 ' B' ' 35' ' ' LEU . 3.2 mp0 -65.88 -59.18 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.759 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.716 HD12 ' CG1' ' B' ' 53' ' ' VAL . 0.9 OUTLIER -41.75 -70.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.595 ' HD2' ' HB ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -53.32 -28.13 26.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.892 0.377 . . . . 0.0 111.346 -179.609 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.454 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -60.5 -64.13 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.838 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.807 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.3 mm? -46.57 -32.33 3.36 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.097 0.475 . . . . 0.0 111.213 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.961 HG23 HD12 ' B' ' 40' ' ' LEU . 1.4 mt -53.18 -64.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.677 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.62 -7.89 59.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.532 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 4.6 t30 -86.29 -32.64 20.97 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.672 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 56.38 0.47 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.961 HD12 HG23 ' B' ' 36' ' ' ILE . 13.0 mt . . . . . 0 N--CA 1.465 0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.646 178.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.843 ' HB2' HG11 ' B' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.615 0.245 . . . . 0.0 111.582 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.539 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.1 OUTLIER 170.28 178.41 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.107 0.479 . . . . 0.0 111.272 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.94 -18.21 58.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.797 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.05 -40.13 24.68 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.032 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 1.002 ' O ' HG23 ' B' ' 56' ' ' VAL . 26.0 m -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.716 ' CG1' HD12 ' B' ' 32' ' ' LEU . 54.9 t -66.9 -47.85 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.244 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.04 -37.51 45.79 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.441 ' HB3' ' CG1' ' D' ' 10' ' ' ILE . 14.1 ttmt -79.52 -35.6 39.77 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.241 -0.891 . . . . 0.0 108.921 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 1.002 HG23 ' O ' ' B' ' 52' ' ' VAL . 52.9 t -56.49 -55.71 17.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.066 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -32.3 70.68 Favored 'General case' 0 CA--C 1.523 -0.096 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.34 -33.62 74.63 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.465 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.914 HG22 ' HB2' ' D' ' 8' ' ' ASN . 0.2 OUTLIER -64.66 -24.09 67.47 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.269 178.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' B' ' 76' ' ' PHE . 2.8 mt -106.99 -9.93 16.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.367 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -44.09 95.08 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.912 0.387 . . . . 0.0 111.338 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . 0.411 ' HB3' ' NE2' ' B' ' 71' ' ' GLN . 10.2 t-20 -71.18 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.33 39.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.24 -56.5 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.254 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.2 33.28 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.684 0.278 . . . . 0.0 111.7 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.08 2.95 59.49 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.839 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.546 ' HB3' ' HG3' ' B' ' 26' ' ' LYS . 0.1 OUTLIER -96.19 -176.79 3.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 117.545 0.672 . . . . 0.0 110.411 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.585 ' CB ' HD23 ' B' ' 32' ' ' LEU . 0.1 OUTLIER -112.57 86.63 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.458 -179.612 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.546 ' HB3' ' HA ' ' B' ' 26' ' ' LYS . 8.9 p-10 -85.59 -175.34 5.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.5 ' CE1' ' HA ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -60.97 -32.25 71.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.997 0.427 . . . . 0.0 110.776 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.412 ' HG2' ' HG2' ' B' ' 72' ' ' GLU . 8.7 pt20 -61.1 -36.23 79.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.985 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.497 ' HB3' ' HB2' ' B' ' 60' ' ' LEU . 0.6 OUTLIER -76.74 -30.83 56.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.315 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.577 ' HD2' HD12 ' B' ' 10' ' ' LEU . 0.6 OUTLIER -51.93 -50.06 61.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.397 179.29 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.574 ' HG3' HG23 ' A' ' 82' ' ' THR . 10.1 mmm -65.7 -62.56 1.44 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.506 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.53 -27.91 3.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.953 0.406 . . . . 0.0 110.877 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.678 ' HB2' HD13 ' B' ' 60' ' ' LEU . 48.9 t80 -74.1 -74.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.473 HG23 ' HE2' ' A' ' 7' ' ' MET . 2.1 p -54.78 -31.11 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -71.01 -50.11 37.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.423 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.8 mtm -74.59 -60.91 2.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.162 0.506 . . . . 0.0 111.162 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.841 HG13 ' NE1' ' D' ' 7' ' ' TRP . 63.1 t -43.08 -46.89 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.123 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.471 ' OG1' ' CB ' ' B' ' 85' ' ' HIS . 1.4 t -70.14 -48.23 58.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.197 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.579 HG23 ' HG3' ' A' ' 74' ' ' MET . 1.2 p -51.34 -27.16 8.96 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.924 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -82.46 -67.67 0.77 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 8.3 p -86.92 -51.26 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.471 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 6.6 t60 -49.6 -23.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.013 0.435 . . . . 0.0 110.72 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.497 ' HA ' ' CE1' ' A' ' 70' ' ' PHE . 30.5 tt0 -49.02 -64.77 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.411 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.66 -25.18 5.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.462 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.077 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 . . . . . 0 N--CA 1.457 -0.081 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . 0.485 ' O ' HD13 ' C' ' 5' ' ' ILE . 66.9 p -98.41 -1.5 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.365 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.74 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -82.53 -2.02 52.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.923 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 0.74 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 47.2 10.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 123.445 0.698 . . . . 0.0 112.81 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.959 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 46.3 t0 53.59 17.4 1.17 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.849 ' NE1' HG13 ' A' ' 80' ' ' VAL . 19.6 m95 -71.52 -69.85 0.36 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.692 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.906 ' HB2' HG22 ' A' ' 59' ' ' THR . 6.7 m-20 146.86 -96.1 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.299 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.48 ' H ' HG23 ' A' ' 59' ' ' THR . 1.9 tmtt? -97.93 -44.2 6.78 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.676 HG23 HD12 ' C' ' 11' ' ' LEU . 0.1 OUTLIER -53.8 -58.83 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -177.634 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.676 HD12 HG23 ' C' ' 10' ' ' ILE . 2.4 mp -93.44 -15.74 25.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.919 0.39 . . . . 0.0 110.645 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 49.1 p . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.212 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . 0.717 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.79 0.329 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -57.65 -71.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . 0.488 ' O ' HD13 ' D' ' 5' ' ' ILE . 67.5 p -98.45 -1.54 41.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.345 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 0.752 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -82.53 -2.01 52.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.927 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 0.752 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 47.3 9.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.389 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.924 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 46.2 t0 53.63 17.29 1.16 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.841 ' NE1' HG13 ' B' ' 80' ' ' VAL . 19.7 m95 -71.4 -69.9 0.35 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.806 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.914 ' HB2' HG22 ' B' ' 59' ' ' THR . 6.6 m-20 146.88 -95.95 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.292 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . 0.495 ' H ' HG23 ' B' ' 59' ' ' THR . 1.9 tmtt? -97.99 -44.3 6.71 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.663 HG23 HD12 ' D' ' 11' ' ' LEU . 0.1 OUTLIER -53.78 -58.81 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -177.613 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.663 HD12 HG23 ' D' ' 10' ' ' ILE . 2.4 mp -93.45 -15.62 25.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 49.3 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.179 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.811 0.338 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.43 -36.09 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.212 0.529 . . . . 0.0 110.861 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.452 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 3.9 mt -59.04 -25.07 63.39 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -81.06 -46.93 14.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -76.49 -42.92 41.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.104 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -61.28 -35.94 78.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.963 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.497 ' O ' HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -61.91 -62.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.505 ' HA ' HG12 ' A' ' 11' ' ' ILE . 24.3 t -69.51 -22.09 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.751 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -58.57 -43.34 89.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.397 0.617 . . . . 0.0 109.832 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.797 HD21 ' HE1' ' A' ' 74' ' ' MET . 1.1 pp -70.43 -38.16 74.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.646 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.696 HD12 ' CE1' ' A' ' 70' ' ' PHE . 5.3 mm -62.83 -41.29 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.21 -40.92 35.42 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.419 HG12 ' HG ' ' A' ' 35' ' ' LEU . 29.9 t -57.57 -43.16 82.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.487 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.536 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -78.1 -37.29 46.75 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.368 179.474 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.495 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -68.54 -16.2 63.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.235 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.15 -51.86 6.73 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.277 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.692 ' CD1' HD11 ' A' ' 35' ' ' LEU . 5.6 m-85 -83.49 -56.32 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.376 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 14' ' ' PHE . 8.5 t -56.36 -40.73 75.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.031 -179.79 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? . . . . . 0 C--O 1.231 0.132 0 CA-C-O 120.807 0.336 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.56 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 23.6 t-160 -155.13 41.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -166.64 155.37 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.88 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.702 HD23 ' HB3' ' A' ' 31' ' ' GLU . 3.0 mp -136.75 138.98 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.59 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -112.5 -173.43 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.183 0.516 . . . . 0.0 112.274 -178.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -51.34 -24.94 5.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.428 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.5 m -78.62 -55.89 4.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.943 0.401 . . . . 0.0 110.522 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.823 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -68.68 -59.97 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.124 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' A' ' 68' ' ' CYS . 1.0 OUTLIER -43.34 -69.51 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.621 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.76 ' HG3' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -48.61 -32.29 7.95 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 111.157 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -63.17 -62.77 1.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.52 -179.44 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.3 mm? -46.95 -34.16 5.27 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.039 0.447 . . . . 0.0 111.169 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.51 HG23 ' HG ' ' A' ' 40' ' ' LEU . 1.4 mt -52.28 -66.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.341 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -73.46 -17.04 61.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.574 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 16.0 t30 -71.63 -53.32 14.05 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.576 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG2' ' C ' ' A' ' 38' ' ' ASN . 8.5 mm-40 -154.85 61.49 0.66 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.51 ' HG ' HG23 ' A' ' 36' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.332 -0.187 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.553 179.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.753 ' HB2' HG21 ' A' ' 52' ' ' VAL . 7.1 mtmm . . . . . 0 N--CA 1.468 0.465 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 52' ' ' VAL . 2.5 mt-10 166.11 172.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.734 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -21.34 62.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.894 0.378 . . . . 0.0 110.506 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -80.1 -41.19 26.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.958 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.7 m -63.65 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.76 HG11 ' HG3' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -65.49 -43.78 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.31 -33.1 52.02 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -86.96 -30.11 21.54 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.249 178.133 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 52' ' ' VAL . 74.3 t -64.88 -51.35 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.1 mtp -61.0 -44.99 96.62 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.87 -36.52 83.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.579 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.967 HG23 ' HB3' ' C' ' 8' ' ' ASN . 16.5 m -79.58 -15.73 57.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.959 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.806 HD12 HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -91.86 -49.98 5.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.1 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -43.94 119.0 1.6 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.717 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -90.45 -51.91 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.58 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 178.03 44.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.78 -60.7 0.88 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.054 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.0 p30 174.44 30.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.626 0.251 . . . . 0.0 111.314 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.07 -14.89 57.85 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.395 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.48 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -91.85 178.01 6.02 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.05 0.452 . . . . 0.0 110.585 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.669 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -117.98 86.2 2.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.406 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.555 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 6.0 p-10 -79.68 -168.87 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.424 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.696 ' CE1' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -63.0 -34.51 77.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.967 0.413 . . . . 0.0 110.588 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -38.12 73.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.49 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.429 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 22.3 mm-40 -75.79 -24.46 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.423 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.654 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -60.73 -65.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.728 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.797 ' HE1' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -55.75 -44.79 77.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.279 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -59.34 -40.92 87.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.208 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.733 ' HB2' HD21 ' A' ' 60' ' ' LEU . 51.4 t80 -65.23 -74.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.705 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 73' ' ' PHE . 3.4 m -44.03 -31.49 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.245 0.545 . . . . 0.0 110.65 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.476 ' HA ' ' HB3' ' B' ' 74' ' ' MET . . . -85.31 -33.43 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.145 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.506 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -85.68 -39.46 17.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.49 . . . . 0.0 111.456 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.802 HG13 ' NE1' ' C' ' 7' ' ' TRP . 27.2 t -68.54 -49.76 62.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.659 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.488 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -71.54 -51.02 25.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.1 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.551 ' HA ' ' CZ ' ' B' ' 70' ' ' PHE . 35.1 m -47.97 -30.14 4.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.679 0.276 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -72.42 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.761 0.315 . . . . 0.0 111.315 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.9 p -87.78 -49.19 7.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.488 ' HB3' ' O ' ' A' ' 81' ' ' THR . 35.5 t60 -47.34 -24.03 0.69 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.88 0.372 . . . . 0.0 110.992 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.496 ' HA ' ' CE2' ' B' ' 70' ' ' PHE . 27.9 tt0 -50.82 -65.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.758 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.89 -18.52 7.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CZ ' ' HB ' ' C' ' 3' ' ' THR . 21.9 m-85 . . . . . 0 N--CA 1.455 -0.195 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.691 179.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.91 0.386 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -60.46 -35.94 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.267 0.555 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.424 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 3.9 mt -59.08 -25.19 63.57 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -81.05 -46.9 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -76.52 -42.94 41.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.091 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -61.26 -35.93 78.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.989 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.5 ' O ' HG12 ' B' ' 11' ' ' ILE . 1.0 OUTLIER -61.98 -62.95 1.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.425 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.49 ' HA ' HG12 ' B' ' 11' ' ' ILE . 23.9 t -69.5 -22.08 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.769 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -58.66 -43.19 89.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.397 0.618 . . . . 0.0 109.847 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.714 HD21 ' CE ' ' B' ' 74' ' ' MET . 1.1 pp -70.52 -38.22 74.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.644 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.69 HD12 ' CE1' ' B' ' 70' ' ' PHE . 5.3 mm -62.65 -41.5 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.01 -40.98 33.06 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.413 HG12 ' HG ' ' B' ' 35' ' ' LEU . 30.1 t -57.61 -43.12 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.512 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.536 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -78.17 -37.29 46.15 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.284 179.469 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.49 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -68.55 -16.21 63.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.15 -51.83 6.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.694 ' CD1' HD11 ' B' ' 35' ' ' LEU . 5.6 m-85 -83.58 -56.4 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' B' ' 14' ' ' PHE . 8.5 t -56.27 -40.8 74.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.289 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.224 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.875 -179.745 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.826 0.346 . . . . 0.0 111.113 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.56 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 23.6 t-160 -155.1 41.79 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 0.1 OUTLIER -166.6 155.38 10.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.909 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' B' ' 31' ' ' GLU . 2.9 mp -136.69 139.06 41.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.562 179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.463 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -112.6 -173.51 2.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.22 0.533 . . . . 0.0 112.219 -178.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -51.11 -25.11 4.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.481 -179.794 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 62.8 m -78.46 -55.99 4.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.987 0.422 . . . . 0.0 110.587 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.814 ' O ' HD22 ' B' ' 35' ' ' LEU . 0.8 OUTLIER -68.62 -60.03 2.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.096 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' B' ' 68' ' ' CYS . 1.0 OUTLIER -43.26 -69.5 0.13 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.686 -179.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.746 ' HG3' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -48.57 -32.46 8.11 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 111.074 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -63.04 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.5 -179.402 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.814 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.3 mm? -46.88 -34.26 5.26 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.087 0.47 . . . . 0.0 111.209 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.492 HG23 ' HG ' ' B' ' 40' ' ' LEU . 1.4 mt -52.18 -66.69 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.392 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -73.47 -17.01 61.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.624 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.451 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 16.0 t30 -71.71 -53.24 14.12 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.576 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.403 ' HG2' ' C ' ' B' ' 38' ' ' ASN . 8.6 mm-40 -154.79 61.43 0.66 Allowed 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.492 ' HG ' HG23 ' B' ' 36' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.331 -0.199 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.604 179.214 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.761 ' HB2' HG21 ' B' ' 52' ' ' VAL . 7.1 mtmm . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.497 ' O ' HG22 ' B' ' 52' ' ' VAL . 2.5 mt-10 166.1 172.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.319 . . . . 0.0 110.665 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -21.24 62.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.534 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -80.21 -41.19 25.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.95 ' O ' HG23 ' B' ' 56' ' ' VAL . 13.6 m -63.67 -40.13 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.746 HG11 ' HG3' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -65.46 -43.87 94.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.842 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.29 -33.03 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -87.06 -30.14 21.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.233 178.103 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.95 HG23 ' O ' ' B' ' 52' ' ' VAL . 75.0 t -64.75 -51.46 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 26.0 mtp -60.88 -45.04 96.14 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.73 -36.69 83.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.562 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.949 HG23 ' CB ' ' D' ' 8' ' ' ASN . 16.5 m -79.47 -15.78 57.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.923 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.797 HD12 HG12 ' B' ' 56' ' ' VAL . 0.3 OUTLIER -91.89 -49.99 5.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.057 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -43.95 119.02 1.6 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.689 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -90.46 -51.83 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.648 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.99 44.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.4 ' HA3' ' HZ1' ' B' ' 26' ' ' LYS . . . -98.85 -60.71 0.88 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.043 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.9 p30 174.43 31.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.544 0.211 . . . . 0.0 111.18 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.11 -14.96 57.72 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.314 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.463 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -91.86 178.08 6.0 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 117.126 0.463 . . . . 0.0 110.626 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.669 ' HB3' HD23 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -118.06 86.13 2.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.387 179.697 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.558 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 6.0 p-10 -79.57 -168.84 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.69 ' CE1' HD12 ' B' ' 11' ' ' ILE . 0.6 OUTLIER -63.04 -34.5 77.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.914 0.388 . . . . 0.0 110.572 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -38.17 73.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.414 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.433 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 22.3 mm-40 -75.77 -24.35 56.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.362 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -60.84 -65.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.745 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.714 ' CE ' HD21 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -55.72 -44.78 77.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.252 -179.697 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -59.47 -40.88 88.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.182 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.743 ' HB2' HD21 ' B' ' 60' ' ' LEU . 51.5 t80 -65.26 -74.76 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.65 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 73' ' ' PHE . 3.4 m -44.1 -31.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 121.194 0.521 . . . . 0.0 110.579 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.462 ' HA ' ' HB3' ' A' ' 74' ' ' MET . . . -85.3 -33.45 22.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.159 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER -85.77 -39.41 17.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 111.361 -179.36 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.803 HG13 ' NE1' ' D' ' 7' ' ' TRP . 27.9 t -68.61 -49.7 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.619 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -71.53 -50.99 25.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.054 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 70' ' ' PHE . 36.0 m -48.07 -30.0 4.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.717 0.294 . . . . 0.0 111.032 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.46 -72.32 0.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.27 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.8 p -87.88 -49.16 7.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' B' ' 81' ' ' THR . 35.7 t60 -47.3 -23.98 0.67 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 111.031 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.496 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 27.9 tt0 -50.92 -65.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.814 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.01 -18.48 6.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.471 ' CZ ' ' HB ' ' D' ' 3' ' ' THR . 21.9 m-85 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.683 179.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.829 0.347 . . . . 0.0 110.698 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 88' ' ' PHE . 3.9 t -98.32 -3.33 37.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.451 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.762 ' O ' HD12 ' C' ' 5' ' ' ILE . 4.8 tmtt? -80.55 -1.51 42.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.075 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 0.958 HD13 ' CD1' ' C' ' 7' ' ' TRP . 1.8 pp 55.09 -8.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' C' ' 4' ' ' LYS . 13.3 t0 39.94 57.23 2.35 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.958 ' CD1' HD13 ' C' ' 5' ' ' ILE . 8.6 m95 -93.86 -69.07 0.77 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.967 ' HB3' HG23 ' A' ' 59' ' ' THR . 18.3 t-20 165.15 -103.26 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.05 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.93 -34.18 10.55 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.862 HG23 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.47 -60.04 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -177.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.862 HD12 HG23 ' C' ' 10' ' ' ILE . 1.0 OUTLIER -95.31 -22.84 17.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.164 0.507 . . . . 0.0 110.11 179.441 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 20.7 p . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.023 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . 0.441 HG22 ' CG ' ' D' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.741 0.305 . . . . 0.0 111.179 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -56.67 -71.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.757 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . 0.471 ' HB ' ' CZ ' ' B' ' 88' ' ' PHE . 3.9 t -98.36 -3.31 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.41 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 0.774 ' O ' HD12 ' D' ' 5' ' ' ILE . 4.8 tmtt? -80.52 -1.59 42.52 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.032 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 0.948 HD13 ' CD1' ' D' ' 7' ' ' TRP . 1.8 pp 55.12 -8.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' D' ' 4' ' ' LYS . 13.4 t0 40.03 57.22 2.4 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.948 ' CD1' HD13 ' D' ' 5' ' ' ILE . 8.6 m95 -93.85 -69.06 0.77 Allowed 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.949 ' CB ' HG23 ' B' ' 59' ' ' THR . 18.3 t-20 165.18 -103.35 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.95 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.76 -34.21 10.6 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.891 HG23 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.47 -59.99 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.891 HD12 HG23 ' D' ' 10' ' ' ILE . 1.0 OUTLIER -95.38 -22.83 17.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.184 0.516 . . . . 0.0 110.099 179.555 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 20.4 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.065 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.768 0.318 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.702 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.7 OUTLIER -55.67 -37.3 68.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.144 0.497 . . . . 0.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.465 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 2.0 mp -53.68 -36.58 62.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.974 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.83 -35.45 67.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.749 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -77.23 -37.64 52.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.28 80.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.554 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -67.2 -50.56 60.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.573 ' HA ' HG13 ' A' ' 11' ' ' ILE . 22.0 t -76.22 -27.39 17.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.691 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.731 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -56.96 -42.46 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 109.27 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.93 -53.4 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.325 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.623 HD11 ' CE1' ' B' ' 85' ' ' HIS . 1.4 mt -51.53 -53.61 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.98 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.436 ' OD2' HG12 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -42.42 -37.64 1.65 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.051 0.453 . . . . 0.0 110.358 179.729 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.729 HG12 HD11 ' A' ' 35' ' ' LEU . 38.4 t -67.44 -48.28 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.539 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.607 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -76.15 -25.99 55.83 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.775 0.322 . . . . 0.0 111.115 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -81.01 -18.17 47.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.17 -179.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -83.59 -41.57 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.307 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.469 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 2.0 m-85 -83.07 -70.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.531 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 1.2 t -59.49 125.73 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.369 179.866 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 1.1 tmtp? . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.678 0.275 . . . . 0.0 110.832 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.447 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 12.8 t-160 83.48 -36.03 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.708 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.98 163.67 13.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.81 0.338 . . . . 0.0 110.391 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 4.9 mp -136.31 141.08 43.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.549 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -102.64 174.36 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.959 0.409 . . . . 0.0 111.617 -179.225 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 2.2 mttt -48.76 -27.83 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.756 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 1.9 m -79.57 -47.9 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.733 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HB3' HD23 ' A' ' 27' ' ' LEU . 5.9 mm-40 -62.74 -68.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.314 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.96 -68.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.893 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.913 ' HG3' HG11 ' A' ' 53' ' ' VAL . 12.6 ttmt -44.98 -66.41 0.4 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.926 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 30' ' ' SER . 11.9 mm-40 -46.74 -43.12 17.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.729 HD11 HG12 ' A' ' 13' ' ' VAL . 1.2 tt -60.38 -45.45 93.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.275 0.56 . . . . 0.0 110.378 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.706 HG23 HD12 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -54.7 -58.16 4.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.084 179.624 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.421 ' N ' HG22 ' A' ' 36' ' ' ILE . 2.9 t-20 -61.03 -20.11 62.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.239 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -82.92 -34.21 26.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.028 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -114.49 21.34 14.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.639 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.706 HD12 HG23 ' A' ' 36' ' ' ILE . 28.0 mt . . . . . 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.199 0 CA-C-O 120.689 0.28 . . . . 0.0 110.728 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.689 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -177.15 173.97 1.73 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.468 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.41 -34.81 58.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.994 0.425 . . . . 0.0 110.667 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.27 -41.85 80.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.276 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.941 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.2 m -61.19 -44.74 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.159 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.913 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.0 t -52.8 -49.01 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.8 0.333 . . . . 0.0 110.667 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -52.05 -48.36 64.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.092 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HB3' HG12 ' C' ' 10' ' ' ILE . 22.9 ttmt -68.76 -31.84 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.719 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 52' ' ' VAL . 93.1 t -63.64 -59.13 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.935 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.411 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -57.66 -24.02 54.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.015 0.436 . . . . 0.0 110.001 178.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -37.83 28.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.402 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.678 HG23 ' H ' ' C' ' 9' ' ' LYS . 26.2 m -74.06 -7.36 52.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.089 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.568 HD11 HG12 ' A' ' 56' ' ' VAL . 1.5 mt -113.0 -12.55 13.21 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.74 125.83 10.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.733 0.302 . . . . 0.0 110.594 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.28 -51.66 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.252 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.95 44.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.905 0.383 . . . . 0.0 111.148 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA2' ' HD3' ' A' ' 26' ' ' LYS . . . -114.95 7.66 21.62 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.366 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.56 24.59 13.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.926 0.393 . . . . 0.0 110.481 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.88 -20.2 5.74 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.356 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -90.93 -179.83 5.58 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.023 0.439 . . . . 0.0 110.456 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.45 ' CB ' ' HG2' ' A' ' 72' ' ' GLU . 1.7 m -120.92 104.44 9.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.708 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -94.68 -176.97 4.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.322 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.543 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 29.9 t80 -58.94 -18.97 38.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.243 0.545 . . . . 0.0 110.494 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.91 -41.57 97.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.73 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 1.5 pp20? -78.2 -21.06 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.414 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.84 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -55.78 -51.84 66.03 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.461 ' HB3' ' CB ' ' B' ' 78' ' ' ALA . 21.0 mmt -63.48 -53.39 52.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.1 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.23 -33.45 65.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.67 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HA ' HD22 ' A' ' 60' ' ' LEU . 57.7 t80 -65.85 -75.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -52.26 -26.01 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.039 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' B' ' 74' ' ' MET . . . -82.59 -46.36 13.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.9 mtm -70.62 -54.0 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 0.0 110.575 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.65 HG22 ' CD2' ' C' ' 7' ' ' TRP . 85.7 t -56.04 -42.06 70.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.985 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.767 HG23 ' CG ' ' A' ' 85' ' ' HIS . 3.4 m -65.97 -60.96 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.601 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -42.94 -29.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.599 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -77.4 -72.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.409 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 4.5 p -89.38 -56.01 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.767 ' CG ' HG23 ' A' ' 81' ' ' THR . 6.5 t60 -43.4 -26.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.118 0.485 . . . . 0.0 110.957 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -49.73 -64.08 0.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.553 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.15 -26.36 8.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.788 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.525 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.561 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.725 0.298 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.731 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.7 OUTLIER -55.66 -37.23 68.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.06 0.457 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.463 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 2.0 mp -53.7 -36.6 62.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.81 -35.49 67.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.734 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -77.25 -37.69 52.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.22 80.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.551 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -67.17 -50.77 59.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.568 ' HA ' HG13 ' B' ' 11' ' ' ILE . 22.0 t -76.13 -27.37 17.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.691 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -56.92 -42.42 79.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.61 0.719 . . . . 0.0 109.246 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.12 -53.25 52.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.29 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.632 HD11 ' CE1' ' A' ' 85' ' ' HIS . 1.4 mt -51.53 -53.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.968 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.427 ' OD2' HG12 ' B' ' 8' ' ' VAL . 0.7 OUTLIER -42.31 -37.72 1.61 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.055 0.455 . . . . 0.0 110.327 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.751 HG12 HD11 ' B' ' 35' ' ' LEU . 38.3 t -67.52 -48.14 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.517 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.61 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -76.29 -25.94 55.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 111.097 -179.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -81.02 -18.16 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.208 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -83.62 -41.52 17.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 110.352 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.463 ' CE1' ' HG ' ' B' ' 35' ' ' LEU . 2.0 m-85 -83.12 -70.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.17 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.53 ' HB2' ' HG ' ' B' ' 27' ' ' LEU . 1.2 t -59.53 125.75 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.968 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.44 179.904 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' B' ' 25' ' ' HIS . 1.1 tmtp? . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.705 0.288 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.45 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 12.8 t-160 83.5 -36.02 0.07 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.517 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.69 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.0 163.67 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.341 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.53 ' HG ' ' HB2' ' B' ' 18' ' ' SER . 4.9 mp -136.26 141.18 43.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.528 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.2 OUTLIER -102.79 174.3 5.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.958 0.409 . . . . 0.0 111.567 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 2.2 mttt -48.62 -27.82 3.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.806 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 1.9 m -79.6 -47.93 14.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.723 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.501 ' HB3' HD23 ' B' ' 27' ' ' LEU . 5.9 mm-40 -62.78 -68.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 111.273 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.92 -68.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.879 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.892 ' HG3' HG11 ' B' ' 53' ' ' VAL . 12.7 ttmt -44.98 -66.3 0.42 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.921 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' B' ' 30' ' ' SER . 12.0 mm-40 -46.89 -43.0 18.43 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.887 0.375 . . . . 0.0 110.949 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.751 HD11 HG12 ' B' ' 13' ' ' VAL . 1.2 tt -60.47 -45.41 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.353 0.597 . . . . 0.0 110.387 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.701 HG23 HD12 ' B' ' 40' ' ' LEU . 0.9 OUTLIER -54.69 -58.24 4.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.055 179.572 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.439 ' N ' HG22 ' B' ' 36' ' ' ILE . 2.9 t-20 -61.03 -19.98 62.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.306 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -82.99 -34.11 26.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.034 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.58 21.36 14.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.633 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.701 HD12 HG23 ' B' ' 36' ' ' ILE . 27.8 mt . . . . . 0 C--N 1.331 -0.213 0 CA-C-O 120.76 0.314 . . . . 0.0 110.84 179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.406 ' HG2' HG11 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.184 0 CA-C-O 120.761 0.315 . . . . 0.0 110.772 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.694 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.5 OUTLIER -177.21 173.93 1.71 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.386 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.36 -34.81 58.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 110.661 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.33 -41.81 80.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.304 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.933 ' O ' HG23 ' B' ' 56' ' ' VAL . 24.8 m -61.21 -44.83 99.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.078 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.892 HG11 ' HG3' ' B' ' 33' ' ' LYS . 2.0 t -52.79 -49.06 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.746 0.308 . . . . 0.0 110.7 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -51.93 -48.31 64.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.911 0.386 . . . . 0.0 110.191 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.42 ' HB3' HG12 ' D' ' 10' ' ' ILE . 22.9 ttmt -68.71 -31.94 71.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.734 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.933 HG23 ' O ' ' B' ' 52' ' ' VAL . 92.9 t -63.6 -59.23 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.833 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.404 ' HA ' HD12 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -57.64 -24.01 54.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.031 0.443 . . . . 0.0 110.029 178.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.97 -37.67 28.93 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.399 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.684 HG23 ' H ' ' D' ' 9' ' ' LYS . 26.2 m -74.12 -7.39 52.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.115 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.582 HD11 HG12 ' B' ' 56' ' ' VAL . 1.6 mt -113.01 -12.48 13.22 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.77 125.83 10.87 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.742 0.306 . . . . 0.0 110.66 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.25 -51.62 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.309 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.93 44.72 0.58 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.148 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.421 ' HA2' ' HD3' ' B' ' 26' ' ' LYS . . . -115.03 7.52 21.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.324 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.71 24.47 13.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.442 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.85 -20.07 5.76 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.342 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.457 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -90.96 -179.92 5.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.01 0.433 . . . . 0.0 110.44 179.715 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.443 ' CB ' ' HG2' ' B' ' 72' ' ' GLU . 1.7 m -120.81 104.43 9.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.65 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.69 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -94.78 -176.9 4.01 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.366 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.533 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 30.1 t80 -59.15 -18.74 38.79 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.205 0.526 . . . . 0.0 110.449 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -64.1 -41.54 97.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 1.5 pp20? -78.07 -21.22 50.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.844 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -55.66 -51.96 65.48 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.458 ' HB3' ' CB ' ' A' ' 78' ' ' ALA . 20.8 mmt -63.36 -53.43 52.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.159 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.36 65.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.744 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.473 ' HA ' HD22 ' B' ' 60' ' ' LEU . 58.3 t80 -65.82 -75.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.512 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.844 HG22 ' O ' ' B' ' 73' ' ' PHE . 0.9 OUTLIER -52.29 -26.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.993 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -82.49 -46.26 13.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.0 mtm -70.63 -53.99 13.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.167 0.508 . . . . 0.0 110.554 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.649 HG22 ' CD2' ' D' ' 7' ' ' TRP . 85.3 t -56.09 -42.05 71.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.921 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.769 HG23 ' CG ' ' B' ' 85' ' ' HIS . 3.3 m -65.93 -61.06 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.53 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -42.89 -29.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.646 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -77.46 -72.3 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.34 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.52 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 4.5 p -89.34 -56.08 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.769 ' CG ' HG23 ' B' ' 81' ' ' THR . 6.4 t60 -43.29 -26.4 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.113 0.482 . . . . 0.0 110.964 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -49.75 -64.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.514 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.17 -26.24 8.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.735 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 0.8 OUTLIER . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.559 179.436 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . 0.487 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER . . . . . 0 C--O 1.228 -0.037 0 CA-C-O 120.819 0.342 . . . . 0.0 110.58 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -98.72 1.78 46.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.141 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 1.023 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -81.45 -1.86 47.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.035 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 1.023 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 32.63 39.54 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 121.461 0.648 . . . . 0.0 111.16 -179.283 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' C' ' 12' ' ' SER . 31.0 t0 -57.52 81.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.875 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.65 ' CD2' HG22 ' A' ' 80' ' ' VAL . 34.8 m0 -71.7 -54.71 9.44 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' C' ' 12' ' ' SER . 22.8 t30 172.35 -82.57 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.444 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.678 ' H ' HG23 ' A' ' 59' ' ' THR . 0.9 OUTLIER -97.95 -55.54 2.76 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.594 HG23 ' CD2' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.04 -59.63 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -177.661 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.594 ' CD2' HG23 ' C' ' 10' ' ' ILE . 4.0 mm? -87.35 -11.7 48.59 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.192 0.52 . . . . 0.0 109.854 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.515 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 19.9 p . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.043 -0.98 . . . . 0.0 111.392 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.661 0.267 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . 0.493 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -52.61 -71.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.56 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -98.73 1.77 46.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 1.008 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -81.36 -2.04 47.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.016 179.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 1.008 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 32.72 39.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 121.394 0.616 . . . . 0.0 111.165 -179.214 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.436 ' HB2' ' HD3' ' D' ' 4' ' ' LYS . 31.0 t0 -57.57 82.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.843 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.649 ' CD2' HG22 ' B' ' 80' ' ' VAL . 34.8 m0 -71.7 -54.69 9.5 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' D' ' 12' ' ' SER . 22.7 t30 172.23 -82.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.429 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . 0.684 ' H ' HG23 ' B' ' 59' ' ' THR . 0.9 OUTLIER -97.85 -55.59 2.75 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.594 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.587 HG23 ' CD2' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.1 -59.58 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.594 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.588 HD12 ' CG1' ' D' ' 5' ' ' ILE . 4.0 mm? -87.34 -11.75 48.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.214 0.53 . . . . 0.0 109.776 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 19.6 p . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.068 -0.968 . . . . 0.0 111.4 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.863 0.363 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.516 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 1.7 mt-10 -58.62 -23.15 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 1.032 HD13 HD21 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -72.96 -25.8 61.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.08 -47.32 15.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -69.88 -49.78 48.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.154 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -55.75 -37.85 69.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 0.0 111.242 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -68.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 110.402 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.527 HG12 ' OD1' ' A' ' 12' ' ' ASP . 20.0 t -65.96 -25.36 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.839 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -51.3 -43.3 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.088 0.47 . . . . 0.0 110.409 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.724 HD13 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -73.47 -47.32 42.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.26 179.256 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.476 HG22 ' ND1' ' A' ' 15' ' ' HIS . 6.9 mm -54.4 -50.64 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.178 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . 0.527 ' OD1' HG12 ' A' ' 8' ' ' VAL . 1.1 m-20 -51.42 -52.34 46.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.432 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 9' ' ' ALA . 21.7 t -45.48 -48.2 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.855 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.82 ' CD2' HD13 ' A' ' 27' ' ' LEU . 2.6 m-30 -81.24 -33.28 32.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 110.473 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.476 ' ND1' HG22 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -66.26 -22.89 66.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.034 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 17' ' ' TYR . 10.5 pt20 -84.47 -44.11 13.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.7 0.286 . . . . 0.0 110.811 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.734 ' CG ' HD11 ' A' ' 35' ' ' LEU . 3.6 m-85 -83.18 -50.94 7.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.387 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 27' ' ' LEU . 10.2 t -58.97 -49.18 78.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.227 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.518 0.251 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.985 -179.703 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 tttt . . . . . 0 CA--C 1.529 0.147 0 CA-C-O 120.676 0.274 . . . . 0.0 111.353 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 69' ' ' ASP . 15.9 t-160 -125.09 -36.96 2.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.687 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.81 160.67 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.13 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.834 HD23 ' HB3' ' A' ' 31' ' ' GLU . 5.7 mp -135.26 141.72 45.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.918 0.39 . . . . 0.0 110.739 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 7.2 ptmt -93.04 -178.94 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.775 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 4.9 mptt -51.33 -27.73 10.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.366 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.08 -41.15 18.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.057 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.834 ' HB3' HD23 ' A' ' 27' ' ' LEU . 21.6 mt-10 -75.73 -56.83 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.497 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.573 ' C ' HD13 ' A' ' 32' ' ' LEU . 3.0 tm? -50.05 -59.9 3.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.899 0.38 . . . . 0.0 111.467 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.701 ' CG ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -58.08 -32.14 67.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 -179.511 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -53.46 -50.28 65.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.073 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.734 HD11 ' CG ' ' A' ' 17' ' ' TYR . 1.6 mm? -65.09 -30.87 71.86 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.816 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 1.018 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.6 mt -60.96 -48.17 90.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.334 0.588 . . . . 0.0 109.579 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -83.07 -10.28 58.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.615 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.482 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 9.3 t-20 -92.99 -34.67 13.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.589 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.616 ' O ' HD23 ' A' ' 40' ' ' LEU . 48.9 mt-10 -156.03 46.57 0.47 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.127 HD21 HD13 ' B' ' 3' ' ' LEU . 85.0 mt . . . . . 0 N--CA 1.464 0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 110.585 178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.184 0 CA-C-O 120.793 0.33 . . . . 0.0 111.579 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.775 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -164.22 -178.52 5.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.556 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.61 -34.02 58.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.043 0.449 . . . . 0.0 110.276 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.19 -42.08 76.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.058 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.2 m -60.61 -43.81 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.673 0.273 . . . . 0.0 110.805 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.911 ' HA ' HG12 ' A' ' 56' ' ' VAL . 2.7 t -53.02 -68.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.706 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 3.5 t0 -43.53 -32.15 0.86 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HB3' HG12 ' C' ' 10' ' ' ILE . 18.1 ttmt -84.37 -40.72 17.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.897 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.911 HG12 ' HA ' ' A' ' 53' ' ' VAL . 11.2 p -70.77 -35.36 60.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.692 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -77.16 -26.73 53.3 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 17.5 mt-10 -79.79 -38.41 33.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.937 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.808 HG23 ' H ' ' C' ' 9' ' ' LYS . 43.2 m -57.52 -21.41 37.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.525 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.758 HD21 ' CD1' ' A' ' 76' ' ' PHE . 1.5 mt -92.18 -24.13 19.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.821 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.81 107.93 0.2 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -128.74 -45.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -156.22 41.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 7.72 54.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.714 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.35 27.23 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.89 23.78 11.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.664 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.412 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -141.65 177.59 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.354 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.43 ' HB2' ' HE2' ' A' ' 57' ' ' MET . 0.2 OUTLIER -112.04 88.85 2.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.687 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -78.9 -173.0 3.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.618 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.558 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.21 -23.05 61.19 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.09 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 1.2 pt20 -69.87 -30.3 67.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 0.0 110.676 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.445 ' HB3' ' HB3' ' A' ' 60' ' ' LEU . 2.1 mt-10 -70.61 -38.37 73.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -77.29 -20.47 54.98 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.307 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.724 ' SD ' HD13 ' A' ' 10' ' ' LEU . 12.7 mmm -68.72 -42.68 77.32 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -72.83 -26.06 61.35 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.763 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.8 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 45.4 t80 -64.1 -70.0 0.25 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.49 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.477 ' O ' ' HB ' ' A' ' 81' ' ' THR . 1.4 p -48.23 -29.56 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 121.177 0.513 . . . . 0.0 110.381 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -84.68 -35.63 22.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.163 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.8 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 6.0 ptp -81.81 -44.44 16.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.029 0.442 . . . . 0.0 111.237 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.738 HG13 ' NE1' ' C' ' 7' ' ' TRP . 93.0 t -68.15 -40.79 83.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.34 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.691 ' HA ' ' HB2' ' A' ' 85' ' ' HIS . 6.4 t -63.55 -49.67 72.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.196 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.448 ' N ' HG23 ' A' ' 81' ' ' THR . 62.5 m -51.85 -39.3 58.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.091 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -65.98 -72.5 0.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.714 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' C' ' 2' ' ' ARG . 0.0 OUTLIER -88.7 -55.85 3.54 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.003 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 7.1 t60 -43.62 -24.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.803 0.335 . . . . 0.0 111.49 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.7 tm-20 -43.83 -63.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.762 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.85 -5.89 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.72 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.834 ' CZ ' HG23 ' C' ' 3' ' ' THR . 35.3 m-85 . . . . . 0 N--CA 1.456 -0.153 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.874 179.335 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.512 ' HG2' ' HB1' ' A' ' 9' ' ' ALA . 1.7 mt-10 -58.62 -23.14 58.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.25 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 1.127 HD13 HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -72.96 -25.88 61.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.873 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -47.32 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -69.84 -49.85 48.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.109 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -55.64 -37.99 68.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 111.2 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -68.34 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.37 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.537 HG12 ' OD1' ' B' ' 12' ' ' ASP . 19.7 t -65.9 -25.46 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.896 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.751 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -51.31 -43.28 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.001 0.429 . . . . 0.0 110.366 179.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.716 HD13 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -73.54 -47.33 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.192 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.487 HG22 ' ND1' ' B' ' 15' ' ' HIS . 7.0 mm -54.47 -50.52 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . 0.537 ' OD1' HG12 ' B' ' 8' ' ' VAL . 1.1 m-20 -51.43 -52.34 47.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.445 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.751 HG23 ' O ' ' B' ' 9' ' ' ALA . 21.7 t -45.52 -48.16 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.839 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.813 ' CD2' HD13 ' B' ' 27' ' ' LEU . 2.6 m-30 -81.23 -33.27 32.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.487 ' ND1' HG22 ' B' ' 11' ' ' ILE . 1.0 OUTLIER -66.29 -22.85 66.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.971 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' B' ' 17' ' ' TYR . 10.6 pt20 -84.46 -44.08 14.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.736 ' CG ' HD11 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.28 -50.87 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.347 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.503 ' HB2' HD11 ' B' ' 27' ' ' LEU . 10.3 t -59.08 -49.08 79.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.198 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.243 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.01 -179.699 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 17.5 tttt . . . . . 0 CA--C 1.529 0.162 0 CA-C-O 120.723 0.297 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.404 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 15.9 t-160 -125.03 -36.96 2.48 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.681 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.82 160.58 16.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.14 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.832 HD23 ' HB3' ' B' ' 31' ' ' GLU . 5.7 mp -135.21 141.76 45.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.801 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.413 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 7.2 ptmt -93.01 -179.02 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.809 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 4.9 mptt -51.19 -27.81 9.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.393 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -41.15 19.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.073 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.832 ' HB3' HD23 ' B' ' 27' ' ' LEU . 21.6 mt-10 -75.8 -56.84 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.455 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.577 HD13 ' C ' ' B' ' 32' ' ' LEU . 3.0 tm? -50.12 -59.87 3.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 0.0 111.43 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.7 ' CG ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -58.13 -32.12 67.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.295 -179.487 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -53.35 -50.34 65.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.736 HD11 ' CG ' ' B' ' 17' ' ' TYR . 1.6 mm? -65.14 -30.77 71.73 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.013 0.435 . . . . 0.0 110.838 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 1.004 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.6 mt -60.98 -48.23 89.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.359 0.6 . . . . 0.0 109.613 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -83.04 -10.32 58.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.579 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.476 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 9.2 t-20 -92.99 -34.66 13.64 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.64 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.624 ' O ' HD23 ' B' ' 40' ' ' LEU . 49.0 mt-10 -156.01 46.64 0.47 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 1.032 HD21 HD13 ' A' ' 3' ' ' LEU . 84.7 mt . . . . . 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 178.708 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.463 0.177 0 CA-C-O 120.781 0.325 . . . . 0.0 111.645 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.785 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -164.28 -178.53 5.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.586 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.61 -33.96 58.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.092 0.473 . . . . 0.0 110.326 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.17 -42.11 76.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.081 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.502 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.2 m -60.66 -43.91 95.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.711 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.892 ' HA ' HG12 ' B' ' 56' ' ' VAL . 2.7 t -52.87 -68.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.717 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 3.5 t0 -43.54 -32.19 0.87 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.473 ' HB3' HG12 ' D' ' 10' ' ' ILE . 18.0 ttmt -84.34 -40.66 17.64 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.956 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.892 HG12 ' HA ' ' B' ' 53' ' ' VAL . 11.2 p -70.84 -35.25 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.685 ' HA ' HD12 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -77.25 -26.66 52.77 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 17.6 mt-10 -79.79 -38.34 33.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.0 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.789 HG23 ' H ' ' D' ' 9' ' ' LYS . 42.3 m -57.66 -21.34 39.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.49 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.751 HD21 ' CD1' ' B' ' 76' ' ' PHE . 1.5 mt -92.14 -24.22 19.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.93 107.99 0.21 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -128.68 -45.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -156.24 41.1 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.758 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 7.68 54.52 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.76 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.41 27.26 16.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.812 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.83 23.73 11.49 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.741 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.413 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -141.63 177.51 8.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.352 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.434 ' HB2' ' HE2' ' B' ' 57' ' ' MET . 0.2 OUTLIER -111.93 88.68 2.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.031 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.681 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -78.92 -173.02 3.33 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.565 ' HA ' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -72.12 -23.06 61.26 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.163 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 1.2 pt20 -69.81 -30.39 67.9 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.705 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.449 ' HB3' ' HB3' ' B' ' 60' ' ' LEU . 2.1 mt-10 -70.58 -38.3 74.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -77.38 -20.44 54.72 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.252 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.716 ' SD ' HD13 ' B' ' 10' ' ' LEU . 12.8 mmm -68.69 -42.68 77.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.014 0.435 . . . . 0.0 109.977 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -72.83 -26.15 61.38 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.675 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.79 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 45.2 t80 -64.06 -69.91 0.25 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.534 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.484 ' O ' ' HB ' ' B' ' 81' ' ' THR . 1.4 p -48.33 -29.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.248 0.547 . . . . 0.0 110.363 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -84.66 -35.58 22.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.132 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.79 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 6.0 ptp -81.8 -44.5 16.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.051 0.453 . . . . 0.0 111.239 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.738 HG13 ' NE1' ' D' ' 7' ' ' TRP . 91.9 t -68.09 -40.83 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.28 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.683 ' HA ' ' HB2' ' B' ' 85' ' ' HIS . 6.4 t -63.71 -49.55 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.145 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.465 ' N ' HG23 ' B' ' 81' ' ' THR . 62.3 m -51.87 -39.3 58.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.036 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -65.98 -72.51 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.657 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' D' ' 2' ' ' ARG . 0.0 OUTLIER -88.71 -55.97 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.683 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 7.1 t60 -43.64 -24.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 111.528 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.7 tm-20 -43.95 -63.22 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.696 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.84 -5.93 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.689 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.838 ' CZ ' HG23 ' D' ' 3' ' ' THR . 35.1 m-85 . . . . . 0 CA--C 1.528 0.125 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.878 179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 6.1 mtp180 . . . . . 0 CA--C 1.524 -0.03 0 CA-C-O 120.841 0.353 . . . . 0.0 110.689 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . 0.834 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -98.72 1.72 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.098 179.323 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 1.001 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -80.8 -2.16 46.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.438 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 1.001 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 33.79 37.59 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.372 0.606 . . . . 0.0 111.236 -179.3 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.51 ' HA ' ' O ' ' C' ' 12' ' ' SER . 28.8 t0 -61.28 87.74 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.897 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.738 ' NE1' HG13 ' A' ' 80' ' ' VAL . 32.0 m0 -76.49 -44.19 36.43 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.598 ' O ' ' HA ' ' C' ' 12' ' ' SER . 1.9 m-80 170.21 -86.79 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.792 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.808 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -98.31 -49.97 4.5 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.68 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.42 -59.56 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.68 HD23 HG23 ' C' ' 10' ' ' ILE . 4.1 mm? -90.4 -11.82 39.36 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 9.2 p . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.537 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . 0.549 HG23 ' HB3' ' D' ' 6' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.671 0.272 . . . . 0.0 111.45 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 6.1 mtp180 -50.42 -71.47 0.06 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.827 0.346 . . . . 0.0 110.604 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . 0.838 HG23 ' CZ ' ' B' ' 88' ' ' PHE . 0.2 OUTLIER -98.65 1.76 46.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 179.341 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 1.016 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -80.85 -2.15 46.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.392 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 1.016 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 33.83 37.53 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.363 0.601 . . . . 0.0 111.219 -179.311 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.549 ' HB3' HG23 ' D' ' 1' ' ' THR . 28.7 t0 -61.18 87.65 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.998 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.738 ' NE1' HG13 ' B' ' 80' ' ' VAL . 31.7 m0 -76.36 -44.26 37.27 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.598 ' O ' ' HA ' ' D' ' 12' ' ' SER . 1.9 m-80 170.23 -86.95 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.714 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . 0.789 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -98.18 -49.96 4.53 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.703 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.43 -59.55 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.703 HD23 HG23 ' D' ' 10' ' ' ILE . 4.1 mm? -90.4 -11.73 39.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 9.3 p . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.529 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.931 0.396 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.578 ' OE2' HG22 ' B' ' 13' ' ' VAL . 5.4 pt-20 -55.41 -38.23 68.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.143 0.497 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.557 HD13 ' OE2' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -52.47 -44.69 65.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.965 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -61.34 -41.12 96.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 1.7 mtpp -73.16 -51.45 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -57.72 -49.15 77.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.445 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.6 ttm -50.27 -65.04 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.03 -20.27 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.844 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -59.1 -43.59 91.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.342 0.592 . . . . 0.0 109.641 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.522 HD12 ' HD2' ' A' ' 73' ' ' PHE . 1.2 pp -69.31 -39.25 78.38 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.488 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 7' ' ' MET . 4.1 mt -65.73 -35.99 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.601 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -42.12 54.97 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.843 HG21 ' OE1' ' A' ' 39' ' ' GLU . 25.6 t -58.56 -46.64 89.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.426 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.526 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.09 -34.66 68.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.368 179.418 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.466 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -72.1 -16.34 62.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.017 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -45.06 16.44 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.948 0.404 . . . . 0.0 110.085 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.698 ' CD1' HD11 ' A' ' 35' ' ' LEU . 2.7 m-85 -83.49 -46.97 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.12 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' HD11 ' A' ' 27' ' ' LEU . 20.2 m -57.31 117.1 3.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.412 ' N ' ' HA ' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.627 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HA ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.816 0.341 . . . . 0.0 110.987 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.72 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 2.2 t-160 -176.69 42.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.964 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.2 mtpt -164.89 152.08 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.834 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.964 HD13 ' O ' ' A' ' 26' ' ' LYS . 1.3 mm? -134.51 133.59 40.52 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 121.009 0.433 . . . . 0.0 111.34 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.447 ' HA ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -98.6 -169.91 1.86 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.421 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -55.27 -41.38 72.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.143 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -74.99 -42.39 57.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.722 ' O ' HD22 ' A' ' 35' ' ' LEU . 25.3 mt-10 -66.58 -67.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.188 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.534 ' HA ' HD23 ' A' ' 35' ' ' LEU . 6.0 tp -45.52 -59.74 2.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.071 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 1.003 ' HG2' HG11 ' A' ' 53' ' ' VAL . 38.7 mttt -41.28 -46.93 3.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.547 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.62 -55.51 31.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.595 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.722 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.3 mm? -49.44 -35.93 20.83 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.923 0.392 . . . . 0.0 111.537 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.685 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.2 mt -55.18 -64.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.7 -12.67 61.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.601 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.483 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 8.8 t30 -88.92 -23.67 22.65 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.592 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.843 ' OE1' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -148.11 43.88 1.05 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.282 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 36' ' ' ILE . 83.5 mt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.696 179.042 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.289 0 CA-C-O 120.73 0.3 . . . . 0.0 110.961 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 53' ' ' VAL . 1.9 mt-10 167.29 175.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.026 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.23 -31.71 62.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.863 0.363 . . . . 0.0 110.75 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -73.44 -40.55 64.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.941 ' O ' HG23 ' A' ' 56' ' ' VAL . 17.1 m -61.26 -42.33 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.567 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 1.003 HG11 ' HG2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -61.09 -50.07 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.926 -179.632 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -48.73 -35.31 13.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.092 0.472 . . . . 0.0 109.839 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.428 ' O ' ' OG1' ' A' ' 59' ' ' THR . 0.0 OUTLIER -81.31 -41.11 22.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.075 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 52' ' ' VAL . 91.3 t -55.6 -53.37 37.41 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.079 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.762 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.447 ' HE1' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -56.35 -39.58 73.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.322 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -38.46 91.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.856 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.712 ' CG2' HG22 ' C' ' 10' ' ' ILE . 0.2 OUTLIER -64.8 -31.85 73.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.145 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.789 HD21 ' CD1' ' A' ' 76' ' ' PHE . 78.3 mt -80.43 -50.12 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.114 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -49.15 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.044 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.55 -50.15 6.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.677 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 176.72 45.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.11 -58.11 0.93 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.601 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.37 30.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.61 -17.37 35.42 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.347 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.667 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 2.1 pt-20 -114.68 -175.12 2.62 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.2 m -111.22 115.25 29.04 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 9.1 p-10 -104.7 -167.65 1.38 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CE1' HG12 ' A' ' 11' ' ' ILE . 5.7 t80 -62.05 -26.16 68.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.93 -38.31 90.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.964 0.411 . . . . 0.0 110.697 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 60' ' ' LEU . 3.0 mm-40 -76.8 -28.28 55.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.459 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.684 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -51.99 -58.35 6.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 179.26 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.454 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 72.0 mmm -60.2 -45.87 91.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.134 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' O ' ' HE2' ' A' ' 79' ' ' MET . . . -61.11 -21.12 63.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.031 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.789 ' CD1' HD21 ' A' ' 60' ' ' LEU . 44.3 t80 -85.44 -74.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.298 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.821 ' O ' HG23 ' A' ' 81' ' ' THR . 0.9 OUTLIER -50.24 -26.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.411 -179.687 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 74' ' ' MET . . . -83.83 -53.79 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.457 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 25.1 mtm -62.16 -46.07 90.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.421 0.629 . . . . 0.0 110.267 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.769 HG13 ' NE1' ' C' ' 7' ' ' TRP . 89.4 t -56.54 -52.45 53.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.674 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.821 HG23 ' O ' ' A' ' 77' ' ' VAL . 14.8 p -72.97 -49.52 28.67 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.783 0.325 . . . . 0.0 111.452 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 68.9 m -47.87 -25.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.691 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.474 ' HB2' ' CB ' ' C' ' 6' ' ' ASP . . . -83.29 -68.35 0.72 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 112.025 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -85.88 -49.95 7.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.621 -178.656 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.467 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 1.4 t60 -51.3 -19.38 1.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.128 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 82' ' ' THR . 18.3 tt0 -61.12 -64.75 0.85 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.569 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -121.91 -16.56 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 84' ' ' CYS . 8.7 m-85 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.553 179.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.846 0.355 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.601 ' OE2' HG22 ' A' ' 13' ' ' VAL . 5.4 pt-20 -55.31 -38.32 68.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.177 0.513 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.563 HD13 ' OE2' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -52.32 -44.83 65.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.984 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -61.24 -41.24 96.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.578 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 1.8 mtpp -73.16 -51.48 17.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.773 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -57.78 -49.11 77.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.479 ' O ' HG13 ' B' ' 11' ' ' ILE . 49.6 ttm -50.26 -65.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.968 0.413 . . . . 0.0 110.801 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.96 -20.41 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.753 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -59.01 -43.56 91.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.259 0.552 . . . . 0.0 109.669 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' B' ' 73' ' ' PHE . 1.2 pp -69.32 -39.32 78.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.459 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 7' ' ' MET . 4.1 mt -65.74 -35.99 76.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.599 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -42.01 55.03 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.847 HG21 ' OE1' ' B' ' 39' ' ' GLU . 25.7 t -58.66 -46.6 90.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.413 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.531 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -72.16 -34.7 68.69 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.369 179.489 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.462 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -72.03 -16.32 62.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.094 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -45.2 16.3 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.922 0.391 . . . . 0.0 110.022 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.694 ' CD1' HD11 ' B' ' 35' ' ' LEU . 2.7 m-85 -83.46 -47.02 11.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.411 ' OG ' HD11 ' B' ' 27' ' ' LEU . 20.3 m -57.3 117.11 3.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.407 ' N ' ' HA ' ' B' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.452 -0.251 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.636 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.407 ' HA ' ' N ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.788 0.328 . . . . 0.0 111.008 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.727 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 2.2 t-160 -176.69 42.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.946 ' O ' HD13 ' B' ' 27' ' ' LEU . 1.2 mtpt -164.93 152.05 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.856 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.946 HD13 ' O ' ' B' ' 26' ' ' LYS . 1.3 mm? -134.52 133.54 40.44 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 120.973 0.416 . . . . 0.0 111.344 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -98.52 -169.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.444 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -55.32 -41.41 72.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.012 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -74.95 -42.47 57.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.734 ' O ' HD22 ' B' ' 35' ' ' LEU . 25.3 mt-10 -66.64 -67.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.15 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' B' ' 35' ' ' LEU . 6.0 tp -45.59 -59.58 2.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.133 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.96 ' HG2' HG11 ' B' ' 53' ' ' VAL . 38.7 mttt -41.37 -46.97 3.47 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.516 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.6 -55.47 31.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.589 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.734 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.3 mm? -49.44 -35.99 21.03 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 120.933 0.397 . . . . 0.0 111.465 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.664 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.2 mt -55.16 -64.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -68.66 -12.67 61.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.621 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.489 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 8.8 t30 -88.97 -23.65 22.6 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.594 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.847 ' OE1' HG21 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -148.07 43.83 1.06 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.288 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' B' ' 36' ' ' ILE . 83.1 mt . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 0.0 110.692 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.561 ' HB2' HG21 ' B' ' 52' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.465 0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 111.003 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.53 ' O ' HG23 ' B' ' 53' ' ' VAL . 1.9 mt-10 167.46 175.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.921 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.23 -31.66 62.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.834 0.349 . . . . 0.0 110.852 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -73.44 -40.65 64.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 56' ' ' VAL . 17.0 m -61.24 -42.24 92.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.628 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.96 HG11 ' HG2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -61.05 -50.06 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.027 -179.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -48.76 -35.25 13.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.144 0.497 . . . . 0.0 109.866 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.422 ' O ' ' OG1' ' B' ' 59' ' ' THR . 0.0 OUTLIER -81.41 -41.01 22.54 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.061 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.921 HG23 ' O ' ' B' ' 52' ' ' VAL . 91.2 t -55.7 -53.24 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.78 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.461 ' HE1' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -56.55 -39.5 73.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.33 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -38.44 91.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.934 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.698 ' CG2' HG22 ' D' ' 10' ' ' ILE . 0.2 OUTLIER -64.76 -31.8 73.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.195 179.166 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.788 HD21 ' CD1' ' B' ' 76' ' ' PHE . 78.4 mt -80.49 -50.06 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.085 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -49.19 95.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.025 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.66 -50.16 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 176.78 45.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.09 -58.21 0.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.531 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.38 30.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -17.28 35.64 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.301 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.666 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 2.1 pt-20 -114.74 -175.24 2.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.489 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 3.2 m -111.13 115.3 29.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.573 ' HB3' ' HA ' ' B' ' 26' ' ' LYS . 9.1 p-10 -104.73 -167.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.439 ' CE1' HG12 ' B' ' 11' ' ' ILE . 5.7 t80 -62.05 -26.2 68.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.92 -38.32 90.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.709 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.465 ' HB3' ' HB3' ' B' ' 60' ' ' LEU . 3.1 mm-40 -76.85 -28.23 55.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.472 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.68 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -51.98 -58.35 6.77 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.306 179.229 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.46 ' SD ' HD21 ' B' ' 10' ' ' LEU . 71.9 mmm -60.17 -45.94 91.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.075 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.13 -21.08 63.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.049 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.788 ' CD1' HD21 ' B' ' 60' ' ' LEU . 44.2 t80 -85.38 -74.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.318 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.812 ' O ' HG23 ' B' ' 81' ' ' THR . 0.9 OUTLIER -50.2 -26.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.413 -179.704 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 74' ' ' MET . . . -83.85 -53.77 5.36 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.2 mtm -62.06 -46.12 90.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.41 0.624 . . . . 0.0 110.284 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.786 HG13 ' NE1' ' D' ' 7' ' ' TRP . 89.2 t -56.57 -52.44 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.645 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.812 HG23 ' O ' ' B' ' 77' ' ' VAL . 15.0 p -73.01 -49.47 28.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 111.445 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 69.2 m -47.79 -25.96 1.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.697 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' D' ' 6' ' ' ASP . . . -83.29 -68.35 0.72 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -85.78 -50.0 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.654 -178.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.468 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 1.4 t60 -51.32 -19.35 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.06 0.457 . . . . 0.0 110.1 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' B' ' 82' ' ' THR . 18.3 tt0 -61.15 -64.78 0.84 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.522 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -121.97 -16.41 7.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.007 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' B' ' 84' ' ' CYS . 8.7 m-85 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 . . . . . 0 N--CA 1.456 -0.154 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 7.2 t -101.31 1.82 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.807 ' O ' HG23 ' C' ' 5' ' ' ILE . 8.9 tttt -83.72 -65.48 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.262 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 0.807 HG23 ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 141.77 -11.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.867 1.267 . . . . 0.0 110.345 179.262 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.474 ' CB ' ' HB2' ' A' ' 83' ' ' ALA . 40.0 t0 64.32 -4.41 0.41 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.769 ' NE1' HG13 ' A' ' 80' ' ' VAL . 11.6 m95 -48.85 -69.37 0.12 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.646 0.657 . . . . 0.0 109.9 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.691 ' HB3' HG23 ' A' ' 59' ' ' THR . 43.8 t-20 146.4 -97.86 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.489 0.715 . . . . 0.0 111.936 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.2 -36.33 10.48 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.726 HG21 ' HE3' ' C' ' 7' ' ' TRP . 1.7 tp -52.82 -60.79 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.5 0.191 . . . . 0.0 111.242 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.668 HD23 HG13 ' C' ' 10' ' ' ILE . 16.7 mt -93.13 -25.22 17.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.215 0.531 . . . . 0.0 109.902 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.64 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.281 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . 0.84 HG22 ' HB2' ' D' ' 6' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.549 0.214 . . . . 0.0 111.403 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -100.27 -73.4 0.64 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.698 -0.401 . . . . 0.0 112.024 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 7.3 t -101.22 1.74 39.25 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 0.816 ' O ' HG23 ' D' ' 5' ' ' ILE . 8.8 tttt -83.74 -65.53 1.0 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.268 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 0.816 HG23 ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 141.79 -11.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.9 1.28 . . . . 0.0 110.332 179.174 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.84 ' HB2' HG22 ' D' ' 1' ' ' THR . 40.2 t0 64.17 -4.36 0.4 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.786 ' NE1' HG13 ' B' ' 80' ' ' VAL . 11.6 m95 -48.89 -69.38 0.12 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.697 0.68 . . . . 0.0 109.939 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.692 ' HB3' HG23 ' B' ' 59' ' ' THR . 44.0 t-20 146.47 -97.71 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.548 0.739 . . . . 0.0 111.94 177.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -36.27 10.45 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.724 HG21 ' HE3' ' D' ' 7' ' ' TRP . 1.7 tp -52.78 -60.84 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.514 0.197 . . . . 0.0 111.233 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.687 HD23 HG13 ' D' ' 10' ' ' ILE . 16.8 mt -93.08 -25.38 17.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.157 0.504 . . . . 0.0 109.813 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.653 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.297 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.752 0.31 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -58.65 -23.71 59.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.14 -62.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.87 -41.03 97.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.13 -61.59 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -56.82 -36.01 69.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.397 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.556 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.0 ttt -58.93 -55.36 36.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.758 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.655 ' HA ' HG13 ' A' ' 11' ' ' ILE . 21.8 t -73.32 -28.55 25.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.884 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.59 -42.78 71.51 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.445 0.64 . . . . 0.0 109.801 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.94 -59.72 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.116 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -47.9 -37.11 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.69 179.125 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.77 -42.83 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.281 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.823 HG12 ' HG ' ' A' ' 35' ' ' LEU . 6.7 t -63.65 -47.02 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.863 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.584 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -76.61 -24.57 53.41 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.703 0.287 . . . . 0.0 111.086 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.423 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 18.5 t-80 -81.38 -18.02 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.94 -43.89 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.211 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.75 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.0 m-85 -83.55 -58.42 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.66 ' HB2' HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -58.3 114.26 2.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.935 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.919 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.039 0.447 . . . . 0.0 110.752 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.411 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 8.8 t-160 -171.37 -34.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.687 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.735 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.33 163.44 13.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.343 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 26' ' ' LYS . 2.3 mm? -131.96 139.72 48.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.133 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.82 -177.49 3.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.004 0.431 . . . . 0.0 111.556 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.61 -26.4 13.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.019 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -83.12 -43.87 15.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.674 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.606 ' O ' HD22 ' A' ' 35' ' ' LEU . 1.5 mp0 -81.43 -64.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.439 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.589 ' C ' HD13 ' A' ' 32' ' ' LEU . 3.4 tm? -44.05 -56.89 3.69 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.783 0.325 . . . . 0.0 111.424 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.569 ' HD3' HG11 ' A' ' 53' ' ' VAL . 73.9 mttt -59.32 -45.81 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.819 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -43.03 -45.92 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.285 -179.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.823 ' HG ' HG12 ' A' ' 13' ' ' VAL . 2.2 mm? -66.33 -38.57 87.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.235 0.54 . . . . 0.0 110.262 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.992 HG23 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -54.69 -56.7 9.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.943 178.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . 0.519 ' N ' HG22 ' A' ' 36' ' ' ILE . 1.5 p30 -69.94 -22.57 63.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.701 177.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.521 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 64.7 t-20 -67.54 -45.59 75.27 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.802 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.71 61.89 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.992 HD13 HG23 ' A' ' 36' ' ' ILE . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.219 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.579 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.178 0 CA-C-O 120.745 0.307 . . . . 0.0 111.267 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.778 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -160.55 -174.64 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -76.73 -44.3 33.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.041 0.448 . . . . 0.0 110.508 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.44 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.266 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.0 m -61.1 -44.42 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.967 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.798 ' HA ' HG12 ' A' ' 56' ' ' VAL . 3.8 t -48.52 -54.59 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-O 120.93 0.395 . . . . 0.0 111.246 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -54.8 -32.51 60.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.057 0.456 . . . . 0.0 109.972 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -77.28 -42.88 35.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.362 179.302 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.914 ' HB ' HD12 ' C' ' 10' ' ' ILE . 4.2 p -65.67 -49.25 78.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.43 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -60.66 -24.51 65.63 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.27 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 11.7 mt-10 -87.25 -35.24 18.61 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.601 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.997 HG21 HG22 ' C' ' 10' ' ' ILE . 85.5 m -63.59 -28.66 70.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.748 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD13 ' HD2' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -86.88 -27.77 23.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.848 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.22 96.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -123.94 -43.68 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.738 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -139.73 40.22 2.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.728 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.84 6.68 25.78 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.827 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 58.49 23.69 11.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.778 0.323 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.38 7.54 26.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.829 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 3.0 mt-10 -136.24 -177.37 4.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.497 ' HA ' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -112.07 99.25 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.072 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.735 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -95.31 -174.65 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 16.5 t80 -59.12 -19.87 48.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.214 0.531 . . . . 0.0 110.469 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.44 HE21 HG23 ' B' ' 82' ' ' THR . 9.0 mm100 -66.52 -40.04 88.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.372 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 16.4 mm-40 -73.41 -29.43 62.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.151 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.632 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -52.65 -50.22 63.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.829 178.53 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.563 ' SD ' HG21 ' B' ' 81' ' ' THR . 17.6 mmt -59.74 -57.19 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.424 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.37 68.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.456 ' HD2' HD13 ' A' ' 60' ' ' LEU . 3.6 t80 -60.34 -74.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 73' ' ' PHE . 2.4 m -58.56 -28.58 36.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.332 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' B' ' 74' ' ' MET . . . -76.24 -47.77 22.69 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.6 mtm -70.35 -59.03 3.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.175 0.512 . . . . 0.0 110.754 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.623 HG22 ' CE2' ' C' ' 7' ' ' TRP . 96.1 t -51.46 -35.2 16.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.286 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.828 HG23 ' HB3' ' A' ' 85' ' ' HIS . 2.0 m -71.22 -60.23 2.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.346 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.59 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 34.0 m -43.16 -26.52 0.17 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.539 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.77 ' HB1' HG22 ' C' ' 5' ' ' ILE . . . -83.57 -70.89 0.53 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.591 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -88.86 -56.05 3.45 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.828 ' HB3' HG23 ' A' ' 81' ' ' THR . 1.7 t-160 -53.18 -19.77 3.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.327 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.4 tm-20 -52.96 -64.28 0.87 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.084 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -118.87 -27.63 5.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.554 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 8.1 m-85 . . . . . 0 N--CA 1.454 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.792 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.84 0.352 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.68 -23.7 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.09 -62.59 1.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.87 -40.93 97.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.13 -61.65 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -56.83 -35.89 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.399 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.564 ' O ' HG13 ' B' ' 11' ' ' ILE . 2.0 ttt -59.11 -55.28 37.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.79 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.637 ' HA ' HG13 ' B' ' 11' ' ' ILE . 21.8 t -73.36 -28.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.904 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.61 -42.84 71.62 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.457 0.646 . . . . 0.0 109.803 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.89 -59.63 3.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.144 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.637 HG13 ' HA ' ' B' ' 8' ' ' VAL . 0.4 OUTLIER -48.11 -36.99 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.667 179.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -42.83 72.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.285 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.843 HG12 ' HG ' ' B' ' 35' ' ' LEU . 6.8 t -63.7 -46.91 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.83 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.594 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -76.71 -24.51 53.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 111.151 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.422 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 18.5 t-80 -81.33 -18.18 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.068 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.84 -43.97 14.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.858 0.361 . . . . 0.0 110.205 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.771 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.0 m-85 -83.42 -58.55 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.174 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.646 ' HB2' HD11 ' B' ' 27' ' ' LEU . 0.5 OUTLIER -58.29 114.3 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.901 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.051 0.453 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.41 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 8.8 t-160 -171.47 -34.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.734 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.744 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.39 163.37 14.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.373 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.692 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.3 mm? -131.91 139.74 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.142 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.86 -177.43 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.911 0.386 . . . . 0.0 111.599 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.72 -26.4 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -83.11 -43.83 15.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.607 ' O ' HD22 ' B' ' 35' ' ' LEU . 1.5 mp0 -81.52 -64.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.408 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.579 HD13 ' C ' ' B' ' 32' ' ' LEU . 3.4 tm? -44.04 -56.86 3.7 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.722 0.296 . . . . 0.0 111.451 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.569 ' HD3' HG11 ' B' ' 53' ' ' VAL . 74.0 mttt -59.32 -45.73 90.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.883 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 0.5 OUTLIER -43.09 -45.97 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.235 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.843 ' HG ' HG12 ' B' ' 13' ' ' VAL . 2.2 mm? -66.22 -38.6 88.31 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.262 0.553 . . . . 0.0 110.298 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 1.0 HG23 HD13 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -54.66 -56.69 9.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.311 -0.858 . . . . 0.0 108.98 178.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . 0.515 ' N ' HG22 ' B' ' 36' ' ' ILE . 1.5 p30 -69.93 -22.67 63.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.695 177.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.536 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 64.7 t-20 -67.37 -45.72 75.44 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.807 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.68 61.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 1.0 HD13 HG23 ' B' ' 36' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.531 0.241 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.532 179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.762 0.315 . . . . 0.0 111.263 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.768 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.2 OUTLIER -160.51 -174.61 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.532 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -76.66 -44.4 34.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 0.0 110.513 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -42.49 98.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.346 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.0 m -61.11 -44.39 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.994 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.814 ' HA ' HG12 ' B' ' 56' ' ' VAL . 3.8 t -48.48 -54.62 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 1.0 OUTLIER -54.81 -32.54 60.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.077 0.465 . . . . 0.0 109.948 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -77.29 -42.81 35.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.409 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.939 ' HB ' HD12 ' D' ' 10' ' ' ILE . 4.2 p -65.65 -49.27 78.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.443 ' HA ' HD12 ' B' ' 60' ' ' LEU . 0.5 OUTLIER -60.59 -24.56 65.55 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.187 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 11.6 mt-10 -87.28 -35.14 18.63 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.594 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 1.038 HG21 HG22 ' D' ' 10' ' ' ILE . 85.9 m -63.69 -28.59 70.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.799 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.462 HD13 ' HD2' ' B' ' 76' ' ' PHE . 1.0 OUTLIER -86.96 -27.67 23.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.875 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.2 96.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -123.97 -43.64 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.732 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -139.65 40.16 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.74 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.95 6.87 25.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.693 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 58.47 23.56 10.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.4 7.59 26.1 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.83 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 26' ' ' LYS . 3.0 mt-10 -136.21 -177.43 4.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.474 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 0.1 OUTLIER -111.94 99.27 7.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.744 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.8 OUTLIER -95.28 -174.68 3.28 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 178.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 16.4 t80 -59.08 -19.88 48.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.142 0.496 . . . . 0.0 110.436 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.448 HE21 HG23 ' A' ' 82' ' ' THR . 8.9 mm100 -66.43 -40.19 89.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.365 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.474 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 16.4 mm-40 -73.4 -29.41 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.1 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.633 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -52.65 -50.28 63.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.777 178.592 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.565 ' SD ' HG21 ' A' ' 81' ' ' THR . 17.6 mmt -59.72 -57.1 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.392 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.4 68.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.462 ' HD2' HD13 ' B' ' 60' ' ' LEU . 3.7 t80 -60.22 -74.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.639 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.633 HG22 ' O ' ' B' ' 73' ' ' PHE . 2.4 m -58.52 -28.6 36.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.34 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -76.33 -47.57 23.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 31.5 mtm -70.43 -58.98 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.2 0.524 . . . . 0.0 110.776 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' D' ' 7' ' ' TRP . 95.3 t -51.51 -35.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.267 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.836 HG23 ' HB3' ' B' ' 85' ' ' HIS . 1.9 m -71.35 -60.19 2.36 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.588 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 34.5 m -43.11 -26.51 0.16 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.584 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.796 ' HB1' HG22 ' D' ' 5' ' ' ILE . . . -83.61 -70.85 0.53 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.595 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' B' ' 88' ' ' PHE . 0.5 OUTLIER -88.88 -56.13 3.41 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.836 ' HB3' HG23 ' B' ' 81' ' ' THR . 1.7 t-160 -53.21 -19.72 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.12 0.486 . . . . 0.0 110.314 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.4 tm-20 -53.01 -64.25 0.88 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.126 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -118.86 -27.61 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.576 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' B' ' 84' ' ' CYS . 8.1 m-85 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.735 179.446 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.747 0.308 . . . . 0.0 111.402 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 23.5 p -102.87 -10.83 18.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 1.096 ' O ' HG23 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -101.45 -63.81 1.11 Allowed 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -177.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 1.096 HG23 ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 114.1 34.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.598 1.559 . . . . 0.0 110.489 -179.077 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.431 ' N ' ' HD3' ' C' ' 4' ' ' LYS . 4.5 p-10 -69.25 70.6 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.026 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.743 ' CE3' HG21 ' C' ' 10' ' ' ILE . 20.3 m0 -52.19 -53.64 40.7 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.052 0.453 . . . . 0.0 109.837 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.843 ' HB3' HG23 ' A' ' 59' ' ' THR . 0.3 OUTLIER -178.4 -92.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.678 179.019 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.443 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -97.85 -39.37 9.04 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.997 HG22 HG21 ' A' ' 59' ' ' THR . 2.0 tt -56.13 -60.85 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.747 ' HG ' HG12 ' C' ' 5' ' ' ILE . 4.5 mm? -92.95 -15.94 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.632 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 11.6 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.313 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' B' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.642 0.258 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -101.05 -74.89 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.382 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 23.6 p -102.81 -10.83 18.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 1.107 ' O ' HG23 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -101.47 -63.79 1.11 Allowed 'General case' 0 C--O 1.225 -0.197 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -177.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 1.107 HG23 ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 114.12 34.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.579 1.552 . . . . 0.0 110.442 -179.109 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.426 ' N ' ' HD3' ' D' ' 4' ' ' LYS . 4.4 p-10 -69.33 70.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.045 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.736 ' CE3' HG21 ' D' ' 10' ' ' ILE . 20.4 m0 -52.19 -53.62 41.05 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.064 0.459 . . . . 0.0 109.834 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.823 ' HB3' HG23 ' B' ' 59' ' ' THR . 0.3 OUTLIER -178.4 -92.08 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.635 179.006 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . 0.444 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -97.89 -39.43 9.0 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.81 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 1.038 HG22 HG21 ' B' ' 59' ' ' THR . 2.0 tt -56.05 -60.88 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.74 ' HG ' HG12 ' D' ' 5' ' ' ILE . 4.5 mm? -93.01 -15.82 25.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 11.4 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.419 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.735 0.302 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.741 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 6.6 mt-10 -59.49 -23.67 62.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.709 HD13 HD11 ' B' ' 40' ' ' LEU . 0.5 OUTLIER -71.91 -25.27 61.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -79.56 -47.56 15.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -71.57 -46.8 58.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.081 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.557 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -60.67 -35.75 77.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.934 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.454 ' HE1' HG21 ' B' ' 81' ' ' THR . 0.0 OUTLIER -61.28 -63.4 1.3 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.504 179.632 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.36 -23.62 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.393 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.767 ' HB1' ' HG2' ' B' ' 2' ' ' GLU . . . -58.7 -40.85 84.82 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.426 0.631 . . . . 0.0 109.619 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.562 HD12 ' CE ' ' A' ' 74' ' ' MET . 3.3 mt -67.78 -44.91 76.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.826 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.466 HG12 ' CE1' ' A' ' 70' ' ' PHE . 5.1 mt -58.09 -42.87 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.917 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.07 -42.82 69.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.505 HG12 ' HG ' ' A' ' 35' ' ' LEU . 15.4 t -57.64 -56.57 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.416 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -69.91 -27.91 65.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.442 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 26.1 t60 -75.14 -18.82 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -47.14 11.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.3 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.787 ' CD1' HD21 ' A' ' 35' ' ' LEU . 3.6 m-85 -83.58 -62.18 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.71 122.3 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.963 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 13.7 tmtt? . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.67 0.271 . . . . 0.0 110.977 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' A' ' 69' ' ' ASP . 10.7 t-160 84.73 -35.51 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.707 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.821 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.14 158.79 17.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.696 0.284 . . . . 0.0 110.263 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.809 HD23 ' HB3' ' A' ' 31' ' ' GLU . 4.5 mp -135.42 137.84 42.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 111.053 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' HG2' ' A' ' 67' ' ' GLU . 9.6 pttm -92.03 174.9 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.44 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 1.1 mptt -49.19 -29.17 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.097 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 1.1 p -84.07 -28.16 27.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.767 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.809 ' HB3' HD23 ' A' ' 27' ' ' LEU . 1.2 mt-10 -80.12 -69.46 0.59 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.546 HD12 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -54.02 -45.92 71.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.35 . . . . 0.0 111.307 -179.213 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.797 ' HG3' HG11 ' A' ' 53' ' ' VAL . 12.8 ttmt -62.69 -40.43 97.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -49.02 -46.2 43.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.75 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.787 HD21 ' CD1' ' A' ' 17' ' ' TYR . 3.4 mm? -67.44 -42.11 83.65 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.236 0.541 . . . . 0.0 110.972 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.952 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.9 mt -58.37 -36.38 58.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.806 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.65 -17.47 25.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.641 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' GLU . 57.7 t30 -92.66 -20.19 21.09 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.284 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' LEU . 81.5 mm-40 -134.93 -32.13 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.952 HD12 ' HA ' ' A' ' 36' ' ' ILE . 2.0 mt . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.893 0.378 . . . . 0.0 111.07 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.854 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.153 0 CA-C-O 120.558 0.218 . . . . 0.0 111.058 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.829 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -79.19 146.63 33.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 110.926 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -51.99 -38.21 55.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.114 0.483 . . . . 0.0 110.811 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.49 -42.57 96.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.411 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.854 HG21 ' HG2' ' A' ' 48' ' ' LYS . 9.5 m -70.6 -37.69 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.374 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.797 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.4 t -57.8 -28.99 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 110.985 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -72.75 -50.54 23.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.632 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' THR . 10.3 ttmt -64.32 -45.43 87.93 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.365 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.774 ' CG1' ' HA ' ' A' ' 53' ' ' VAL . 10.4 p -63.15 -51.96 64.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.53 ' HE2' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -61.47 -25.62 67.36 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.151 0.501 . . . . 0.0 109.675 178.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 22.6 mt-10 -86.6 -26.25 24.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.437 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.567 HG23 ' H ' ' C' ' 9' ' ' LYS . 54.2 m -75.71 -24.32 56.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.951 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.629 HD13 ' CE2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -95.93 -16.96 21.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.294 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -46.77 101.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.762 0.315 . . . . 0.0 111.258 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -107.89 -54.2 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -141.07 37.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.21 7.28 26.93 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.69 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 58.62 31.92 21.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.45 28.44 10.52 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.5 mt-10 -137.65 172.43 12.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.876 0.37 . . . . 0.0 110.485 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 32' ' ' LEU . 1.7 t -111.63 86.81 2.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.0 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.821 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -76.15 -173.95 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.606 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . 29.7 t80 -66.97 -33.09 74.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.458 ' HA ' HG22 ' B' ' 82' ' ' THR . 8.0 pt20 -76.23 -23.48 54.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.375 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -84.33 -37.28 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -82.84 -22.95 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.477 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.61 ' HB2' HG22 ' B' ' 82' ' ' THR . 0.0 OUTLIER -72.13 -47.88 47.78 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -67.87 -23.68 65.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.738 ' CE1' HG21 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -63.95 -72.12 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.758 179.422 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.6 p -44.93 -32.27 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-O 121.224 0.535 . . . . 0.0 110.76 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.31 -40.04 17.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.403 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.542 ' CE ' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -72.14 -44.09 63.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.738 HG21 ' CE1' ' A' ' 76' ' ' PHE . 59.4 t -68.57 -38.27 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.411 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.424 HG21 ' HE1' ' B' ' 7' ' ' MET . 8.5 m -70.36 -59.79 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.034 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 78' ' ' ALA . 68.8 p -50.11 -24.95 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.003 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -75.81 -72.68 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 5.1 p -87.99 -54.08 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -24.61 0.21 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 110.796 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . 0.416 ' HG2' ' CE1' ' B' ' 25' ' ' HIS . 1.2 tm-20 -50.64 -63.69 1.04 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.38 -21.23 10.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 9.3 m-85 . . . . . 0 C--N 1.33 -0.257 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.222 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.808 0.337 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.767 ' HG2' ' HB1' ' A' ' 9' ' ' ALA . 6.5 mt-10 -59.57 -23.67 63.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.021 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.674 HD13 HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -71.9 -25.2 61.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.024 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -79.64 -47.57 15.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -71.48 -46.83 58.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.067 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.557 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -60.66 -35.85 77.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.44 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -61.26 -63.43 1.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.466 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . 0.4 ' HA ' HD12 ' B' ' 11' ' ' ILE . 25.5 t -68.34 -23.67 28.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.311 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.741 ' HB1' ' HG2' ' A' ' 2' ' ' GLU . . . -58.73 -40.75 84.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.361 0.601 . . . . 0.0 109.551 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.571 HD12 ' CE ' ' B' ' 74' ' ' MET . 3.3 mt -67.91 -44.77 76.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.816 178.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.463 HG12 ' CE1' ' B' ' 70' ' ' PHE . 5.2 mt -58.23 -42.79 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.891 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -54.09 -42.97 69.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.519 HG12 ' HG ' ' B' ' 35' ' ' LEU . 15.1 t -57.42 -56.63 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.532 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.607 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -69.88 -27.89 65.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.79 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.44 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 26.4 t60 -75.22 -18.78 60.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.2 -47.06 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.327 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.787 ' CD1' HD21 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.51 -62.42 1.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.48 122.28 10.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.994 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 13.7 tmtt? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.695 0.283 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' B' ' 69' ' ' ASP . 10.7 t-160 84.82 -35.59 0.05 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.678 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.824 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.08 158.84 17.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.646 0.26 . . . . 0.0 110.301 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.83 HD23 ' HB3' ' B' ' 31' ' ' GLU . 4.5 mp -135.49 137.79 42.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.965 0.412 . . . . 0.0 111.12 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.409 ' HA ' ' HG2' ' B' ' 67' ' ' GLU . 9.6 pttm -91.99 174.88 7.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.401 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' B' ' 33' ' ' LYS . 1.1 mptt -49.06 -29.22 4.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.196 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 1.1 p -84.1 -28.1 27.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.794 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.83 ' HB3' HD23 ' B' ' 27' ' ' LEU . 1.2 mt-10 -80.19 -69.36 0.6 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.55 HD12 ' C ' ' B' ' 32' ' ' LEU . 0.9 OUTLIER -54.1 -45.91 71.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.368 . . . . 0.0 111.297 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.808 ' HG3' HG11 ' B' ' 53' ' ' VAL . 12.8 ttmt -62.78 -40.38 97.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.016 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -48.86 -46.34 42.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.696 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.787 HD21 ' CD1' ' B' ' 17' ' ' TYR . 3.4 mm? -67.28 -42.31 84.01 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.38 0.609 . . . . 0.0 110.913 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.973 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.9 mt -58.36 -36.4 58.26 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.798 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.48 -17.49 25.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.737 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' B' ' 34' ' ' GLU . 57.8 t30 -92.68 -20.19 21.07 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.275 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' B' ' 35' ' ' LEU . 81.4 mm-40 -134.95 -32.23 0.98 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.973 HD12 ' HA ' ' B' ' 36' ' ' ILE . 2.0 mt . . . . . 0 C--N 1.33 -0.245 0 CA-C-O 120.835 0.35 . . . . 0.0 111.126 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.881 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.513 0.197 . . . . 0.0 111.096 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.805 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -79.24 146.69 32.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.8 0.333 . . . . 0.0 110.842 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -52.06 -38.11 56.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.764 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.66 -42.46 97.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.363 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.881 HG21 ' HG2' ' B' ' 48' ' ' LYS . 9.8 m -70.66 -37.77 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.285 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.808 HG11 ' HG3' ' B' ' 33' ' ' LYS . 2.4 t -57.63 -29.13 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.761 0.315 . . . . 0.0 111.036 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -72.58 -50.59 24.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.613 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 59' ' ' THR . 10.3 ttmt -64.32 -45.48 87.71 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.322 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.795 ' CG1' ' HA ' ' B' ' 53' ' ' VAL . 10.6 p -63.09 -52.07 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.528 ' N ' HG13 ' B' ' 56' ' ' VAL . 0.5 OUTLIER -61.41 -25.58 67.29 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.137 0.494 . . . . 0.0 109.707 178.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 22.6 mt-10 -86.65 -26.25 24.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.365 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.579 HG23 ' H ' ' D' ' 9' ' ' LYS . 54.0 m -75.64 -24.47 56.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.624 HD13 ' CE2' ' B' ' 76' ' ' PHE . 0.9 OUTLIER -95.9 -16.86 21.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.419 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -46.81 101.12 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.217 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -107.95 -54.01 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -141.19 37.74 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.27 7.3 26.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.696 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t70 58.6 31.82 21.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.54 28.38 10.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 27' ' ' LEU . 2.5 mt-10 -137.63 172.41 13.0 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.893 0.378 . . . . 0.0 110.477 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.465 ' HB2' ' CD2' ' B' ' 32' ' ' LEU . 1.7 t -111.63 86.85 2.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.824 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -76.17 -174.06 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.448 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.607 ' HB2' ' CD2' ' B' ' 14' ' ' PHE . 29.4 t80 -66.89 -33.06 74.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.937 0.399 . . . . 0.0 110.807 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.463 ' HA ' HG22 ' A' ' 82' ' ' THR . 8.0 pt20 -76.3 -23.37 54.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.396 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -84.46 -37.18 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 111.094 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -82.88 -22.81 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.531 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.597 ' HB2' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -72.19 -47.98 46.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -67.77 -23.91 65.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.737 ' CE1' HG21 ' B' ' 80' ' ' VAL . 1.0 OUTLIER -63.84 -72.04 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.835 179.398 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.5 p -45.03 -32.23 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 121.319 0.58 . . . . 0.0 110.767 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.635 ' O ' HG23 ' B' ' 82' ' ' THR . . . -85.36 -39.88 17.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.386 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.545 ' CE ' HD11 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -72.25 -44.16 63.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 111.002 -179.153 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.737 HG21 ' CE1' ' B' ' 76' ' ' PHE . 60.3 t -68.47 -38.31 79.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.432 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.454 HG21 ' HE1' ' A' ' 7' ' ' MET . 8.5 m -70.28 -59.79 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.022 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.635 HG23 ' O ' ' B' ' 78' ' ' ALA . 69.1 p -50.2 -24.85 3.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.089 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -75.84 -72.72 0.3 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 5.2 p -87.88 -54.13 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.401 ' HB3' HG23 ' B' ' 81' ' ' THR . 0.9 OUTLIER -44.8 -24.5 0.21 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.046 0.45 . . . . 0.0 110.865 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . 0.415 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tm-20 -50.75 -63.5 1.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.187 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.43 -21.25 10.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 9.3 m-85 . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.236 179.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.74 0.305 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -98.98 -2.24 37.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.777 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.793 ' O ' HD12 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -82.23 -2.12 51.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.512 0.196 . . . . 0.0 110.722 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 0.794 HD13 ' CD1' ' C' ' 7' ' ' TRP . 2.0 pp 54.59 -7.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' C' ' 4' ' ' LYS . 10.0 t70 69.22 -25.82 0.15 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.904 ' HE3' HG21 ' C' ' 10' ' ' ILE . 14.3 m95 -38.25 -51.88 1.48 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.724 0.693 . . . . 0.0 110.462 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' C' ' 7' ' ' TRP . 21.1 t-20 117.03 -91.52 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.431 0.693 . . . . 0.0 112.851 178.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.567 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -95.67 -36.44 11.21 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.346 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.966 HG23 HD22 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.29 -60.17 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.775 -178.329 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.966 HD22 HG23 ' C' ' 10' ' ' ILE . 1.6 mm? -86.88 -12.59 47.34 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.061 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.723 0.297 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -57.51 -71.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.983 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 74.9 p -98.89 -2.38 37.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.729 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 0.793 ' O ' HD12 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -82.07 -2.18 51.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.489 0.185 . . . . 0.0 110.739 179.455 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 0.793 HD12 ' O ' ' D' ' 4' ' ' LYS . 2.0 pp 54.6 -7.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.519 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 9.9 t70 69.29 -25.91 0.15 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.879 ' HE3' HG21 ' D' ' 10' ' ' ILE . 14.4 m95 -38.21 -51.91 1.46 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.737 0.699 . . . . 0.0 110.472 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.624 ' CB ' ' O ' ' D' ' 7' ' ' TRP . 21.1 t-20 116.95 -91.36 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.489 0.716 . . . . 0.0 112.927 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . 0.579 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -95.8 -36.37 11.17 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -177.291 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.972 HG23 HD22 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.27 -60.27 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.794 -178.364 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.972 HD22 HG23 ' D' ' 10' ' ' ILE . 1.6 mm? -86.76 -12.63 47.56 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 176.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.051 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.87 0.367 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . 0.67 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -66.02 -36.54 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.336 0.589 . . . . 0.0 110.792 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.45 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -58.68 -22.73 57.83 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.788 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -47.12 12.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -74.2 -37.76 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.061 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.546 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -64.8 -45.61 85.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.943 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.456 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -57.03 -55.04 39.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.098 0.475 . . . . 0.0 110.051 179.41 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 t -72.84 -20.72 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.371 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.668 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -59.43 -43.35 93.1 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 3.5 mt -65.41 -46.34 80.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.386 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 7' ' ' MET . 8.1 mt -59.02 -37.13 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.787 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -56.35 -39.89 73.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.643 HG12 ' HG ' ' A' ' 35' ' ' LEU . 9.4 t -62.48 -65.27 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.392 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -61.14 -25.84 67.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . 0.463 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 41.9 t60 -77.03 -19.45 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -45.59 12.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.977 0.418 . . . . 0.0 110.309 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.743 ' CG ' HD21 ' A' ' 35' ' ' LEU . 3.3 m-85 -83.2 -61.12 1.94 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.98 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -63.02 122.02 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.606 -179.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.145 0 CA-C-O 120.673 0.273 . . . . 0.0 111.101 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.424 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 5.0 t-160 -134.87 -32.72 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.444 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.94 160.63 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 68' ' ' CYS . 5.6 mp -135.18 139.09 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.044 0.45 . . . . 0.0 111.005 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -91.79 179.47 5.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.5 ' N ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -55.54 -23.19 25.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.135 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -44.18 15.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.245 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.45 ' HB3' HD23 ' A' ' 27' ' ' LEU . 2.3 mm-40 -72.93 -68.14 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.537 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 33' ' ' LYS . 1.4 tm? -49.8 -64.78 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.57 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.827 ' HG3' HG11 ' A' ' 53' ' ' VAL . 26.7 ttmt -46.83 -43.94 18.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.548 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -47.28 -47.77 25.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.58 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.743 HD21 ' CG ' ' A' ' 17' ' ' TYR . 3.4 mm? -62.85 -50.26 71.65 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 121.351 0.596 . . . . 0.0 110.736 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.848 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.1 mt -47.42 -46.04 10.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.636 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -27.88 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.996 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 31.7 t30 -71.87 -30.47 65.45 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.641 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' LEU . 5.4 mt-10 -109.08 -55.38 2.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.74 179.788 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.888 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.192 0 N-CA-C 111.52 0.193 . . . . 0.0 111.52 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.71 ' O ' HG22 ' A' ' 52' ' ' VAL . 17.5 mm-40 -73.31 155.45 39.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -61.81 -33.16 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.69 -44.5 85.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.524 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.937 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.8 m -66.38 -35.36 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.536 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.827 HG11 ' HG3' ' A' ' 33' ' ' LYS . 2.4 t -55.73 -56.13 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-O 120.588 0.232 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.34 -39.51 57.16 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' THR . 10.3 ttmt -67.55 -42.15 83.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.539 178.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 52' ' ' VAL . 35.4 t -56.78 -62.2 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.428 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.5 ' HE1' ' N ' ' A' ' 29' ' ' LYS . 29.4 mtp -57.06 -24.11 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.29 -27.21 23.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.323 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.637 HG22 ' HB2' ' C' ' 8' ' ' ASN . 37.9 m -76.11 -28.63 57.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.027 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.948 HD11 ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -80.88 -51.11 8.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 0.0 110.697 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 t70 37.71 75.83 0.06 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.919 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.401 ' HB2' ' HB2' ' A' ' 72' ' ' GLU . 1.7 m120 -76.01 -61.26 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -174.76 35.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.95 7.74 14.86 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.633 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.45 26.47 15.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.72 18.52 5.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.957 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -117.28 155.78 28.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.948 0.404 . . . . 0.0 110.584 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.622 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.02 86.57 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.115 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.701 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -76.33 -172.24 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.107 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.639 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.8 t80 -74.5 -20.08 60.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.084 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.853 ' HB2' HG23 ' B' ' 82' ' ' THR . 17.6 pt20 -83.34 -29.04 28.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.471 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -86.08 -41.28 14.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.493 -179.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -72.79 -45.75 56.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.0 110.531 179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -62.96 -38.37 90.83 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -73.59 -24.32 60.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.774 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.948 ' CD1' HD11 ' A' ' 60' ' ' LEU . 79.2 t80 -68.02 -68.72 0.37 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.766 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.77 -31.04 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 121.482 0.658 . . . . 0.0 110.101 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.9 -39.79 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.962 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.77 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 2.0 ptt? -75.7 -44.78 40.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.655 0.264 . . . . 0.0 110.802 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.591 ' N ' ' HG3' ' A' ' 79' ' ' MET . 75.0 t -63.38 -38.13 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.119 0.485 . . . . 0.0 110.057 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.644 HG23 ' HB3' ' A' ' 85' ' ' HIS . 3.3 m -67.99 -51.42 47.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.478 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.835 HG23 ' HB2' ' B' ' 71' ' ' GLN . 98.4 m -51.1 -27.13 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.077 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . 0.987 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -78.35 -70.93 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 5.3 p -87.25 -54.1 4.49 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.644 ' HB3' HG23 ' A' ' 81' ' ' THR . 5.4 t60 -46.01 -25.32 0.54 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.083 0.468 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -48.96 -64.3 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.616 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.58 -27.58 7.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.768 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 12.0 m-85 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.79 179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . 0.668 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -66.03 -36.4 83.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 110.801 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -58.84 -22.71 59.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.781 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.66 -47.03 12.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -74.23 -37.73 63.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.072 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.546 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -64.71 -45.69 85.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.953 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.45 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -57.01 -54.96 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.998 0.427 . . . . 0.0 110.089 179.414 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 t -72.85 -20.85 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.344 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.67 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -59.31 -43.3 92.65 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.406 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 3.4 mt -65.59 -46.14 80.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.416 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 7' ' ' MET . 8.1 mt -59.06 -37.15 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.793 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -56.34 -39.97 73.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.59 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.639 HG12 ' HG ' ' B' ' 35' ' ' LEU . 9.4 t -62.35 -65.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -60.94 -25.99 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . 0.46 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 42.0 t60 -77.02 -19.41 57.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -45.57 12.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.887 0.375 . . . . 0.0 110.248 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.746 ' CG ' HD21 ' B' ' 35' ' ' LEU . 3.3 m-85 -83.19 -61.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.961 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -62.98 122.03 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.614 -179.975 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 CA--C 1.529 0.137 0 CA-C-O 120.608 0.242 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 5.0 t-160 -134.95 -32.66 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.437 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.711 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.95 160.58 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.63 HD13 ' O ' ' B' ' 68' ' ' CYS . 5.6 mp -135.13 139.08 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.961 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -91.81 179.48 5.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.191 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.426 ' N ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -55.66 -23.09 26.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.115 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.17 -44.1 15.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.177 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.47 ' HB3' HD23 ' B' ' 27' ' ' LEU . 2.3 mm-40 -72.89 -68.23 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 111.545 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.74 HD13 ' N ' ' B' ' 33' ' ' LYS . 1.4 tm? -49.68 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.606 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.821 ' HG3' HG11 ' B' ' 53' ' ' VAL . 26.7 ttmt -46.84 -43.9 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.586 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.496 ' HB3' ' CZ ' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -47.16 -47.91 23.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.617 -179.635 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.746 HD21 ' CG ' ' B' ' 17' ' ' TYR . 3.4 mm? -62.8 -50.28 71.62 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.288 0.566 . . . . 0.0 110.708 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.85 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.1 mt -47.44 -46.01 10.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.687 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.12 -28.02 42.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.038 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.454 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 31.8 t30 -71.95 -30.32 65.17 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.63 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' B' ' 35' ' ' LEU . 5.3 mt-10 -109.1 -55.44 2.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' B' ' 36' ' ' ILE . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.68 179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.883 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.0 OUTLIER . . . . . 0 CA--C 1.532 0.251 0 N-CA-C 111.473 0.175 . . . . 0.0 111.473 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.706 ' O ' HG22 ' B' ' 52' ' ' VAL . 17.6 mm-40 -73.29 155.55 39.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -61.86 -33.15 73.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.74 -44.52 85.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.481 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.925 ' O ' HG23 ' B' ' 56' ' ' VAL . 26.1 m -66.32 -35.37 74.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.537 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.821 HG11 ' HG3' ' B' ' 33' ' ' LYS . 2.4 t -55.76 -56.08 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 120.568 0.223 . . . . 0.0 110.952 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.27 -39.6 57.11 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 59' ' ' THR . 10.2 ttmt -67.57 -42.08 83.14 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.545 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 52' ' ' VAL . 36.9 t -56.94 -62.1 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.434 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.446 ' SD ' HD12 ' B' ' 32' ' ' LEU . 29.1 mtp -57.04 -24.13 51.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.512 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.2 -27.4 23.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.334 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.644 HG22 ' HB2' ' D' ' 8' ' ' ASN . 37.3 m -75.96 -28.71 58.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.932 HD11 ' CD1' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -80.83 -50.99 9.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.764 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 t70 37.57 75.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.909 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . 0.403 ' HB2' ' HB2' ' B' ' 72' ' ' GLU . 1.7 m120 -76.01 -61.22 2.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 110.756 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -174.83 35.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.0 7.78 14.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.692 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.45 26.49 15.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.71 18.43 5.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.963 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.457 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -117.33 155.68 29.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.008 0.432 . . . . 0.0 110.593 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.63 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -100.86 86.5 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.217 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.711 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -76.22 -172.37 2.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.097 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.644 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 4.9 t80 -74.33 -20.17 60.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.784 0.325 . . . . 0.0 111.184 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.835 ' HB2' HG23 ' A' ' 82' ' ' THR . 17.6 pt20 -83.33 -28.93 28.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.475 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' B' ' 62' ' ' ASN . 0.0 OUTLIER -86.07 -41.46 14.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.415 -179.228 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.644 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -72.73 -45.86 56.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.296 . . . . 0.0 110.459 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -62.85 -38.44 90.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -73.56 -24.25 60.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.786 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.932 ' CD1' HD11 ' B' ' 60' ' ' LEU . 79.2 t80 -68.05 -68.64 0.37 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.81 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.8 -31.04 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 121.431 0.634 . . . . 0.0 110.093 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.86 -39.82 19.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.901 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.779 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 2.0 ptt? -75.72 -44.78 40.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.645 0.259 . . . . 0.0 110.805 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.588 ' N ' ' HG3' ' B' ' 79' ' ' MET . 74.8 t -63.39 -38.07 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.201 0.524 . . . . 0.0 110.08 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.633 HG23 ' HB3' ' B' ' 85' ' ' HIS . 3.3 m -67.94 -51.52 46.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.517 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.853 HG23 ' HB2' ' A' ' 71' ' ' GLN . 98.3 m -51.05 -27.12 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.054 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -78.35 -70.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 5.2 p -87.36 -54.02 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.633 ' HB3' HG23 ' B' ' 81' ' ' THR . 5.4 t60 -46.03 -25.32 0.54 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.071 0.463 . . . . 0.0 110.836 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -49.07 -64.17 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.634 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.6 -27.49 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 12.0 m-85 . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.746 179.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.904 0.383 . . . . 0.0 110.818 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 20.0 p -98.34 -1.9 40.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.34 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.862 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -79.24 -3.22 44.81 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.114 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 0.862 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 44.68 13.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.987 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 22.4 t0 38.65 28.93 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.978 ' CD2' HD13 ' C' ' 11' ' ' LEU . 10.1 m95 -89.15 -30.02 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.637 ' HB2' HG22 ' A' ' 59' ' ' THR . 3.4 m-20 80.7 -162.99 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.479 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.45 -41.63 0.09 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.986 HD12 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.62 -60.28 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 118.129 0.422 . . . . 0.0 111.674 -178.406 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.986 HD12 HD12 ' C' ' 10' ' ' ILE . 1.3 mp -89.21 -14.51 35.82 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.127 179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . 0.647 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.742 0.306 . . . . 0.0 111.198 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -68.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 19.8 p -98.36 -1.92 40.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.31 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 0.871 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -79.17 -3.26 44.77 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.1 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 0.871 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 44.77 13.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.789 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.98 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 22.4 t0 38.8 28.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.976 ' CD2' HD13 ' D' ' 11' ' ' LEU . 10.0 m95 -89.17 -30.04 18.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.644 ' HB2' HG22 ' B' ' 59' ' ' THR . 3.4 m-20 80.61 -163.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.506 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.37 -41.67 0.08 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.989 HD12 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.53 -60.4 1.53 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 122.034 -0.416 . . . . 0.0 111.687 -178.452 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.989 HD12 HD12 ' D' ' 10' ' ' ILE . 1.3 mp -89.14 -14.59 35.82 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.423 ' N ' ' O ' ' D' ' 8' ' ' ASN . 94.0 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.922 0.392 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.96 -23.28 63.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.4 -25.86 61.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.094 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.8 -44.99 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.137 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.572 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -72.64 -55.72 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.603 -179.533 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.418 ' CA ' ' HB1' ' B' ' 6' ' ' ALA . . . -57.1 -50.49 72.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.748 0.309 . . . . 0.0 111.539 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.596 ' CE ' HG13 ' B' ' 77' ' ' VAL . 22.3 ttm -48.34 -66.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.77 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.19 -19.74 24.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.655 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -60.39 -42.07 95.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.181 0.515 . . . . 0.0 109.942 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.766 HD21 ' HE1' ' A' ' 74' ' ' MET . 0.8 OUTLIER -72.0 -37.19 69.86 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.662 179.031 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.506 HG23 ' CD1' ' A' ' 70' ' ' PHE . 3.7 mt -66.65 -41.52 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.86 -40.12 28.36 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.72 HG12 HD11 ' A' ' 35' ' ' LEU . 41.8 t -57.85 -48.5 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.033 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.547 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -70.58 -27.44 64.12 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.434 179.226 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.48 -22.15 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.42 -38.44 24.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.862 0.363 . . . . 0.0 110.46 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.422 ' CG ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 m-85 -82.8 -57.64 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -63.28 125.13 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.122 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.52 179.874 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.856 0.36 . . . . 0.0 111.079 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.542 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 19.8 t-160 60.96 41.05 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.966 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.626 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -174.84 148.44 1.08 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.176 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.633 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 2.4 mm? -129.11 138.47 51.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.189 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HA ' ' HE1' ' A' ' 57' ' ' MET . 0.5 OUTLIER -111.96 -177.72 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.297 0.57 . . . . 0.0 111.831 -178.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -58.51 -19.81 40.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.969 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -83.19 -56.63 3.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -74.75 -59.99 2.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.25 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.484 ' C ' HD13 ' A' ' 32' ' ' LEU . 2.6 tm? -42.46 -62.45 0.97 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.803 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.549 ' CE ' HG12 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -52.87 -63.5 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 111.179 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 4.2 mt-10 -51.88 -26.23 9.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.345 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.72 HD11 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -67.83 -57.2 6.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 111.092 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.559 HG23 HD13 ' A' ' 40' ' ' LEU . 1.6 mt -45.68 -63.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -56.52 -21.97 29.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.733 0.301 . . . . 0.0 110.875 179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 42.7 t30 -84.46 -41.3 16.74 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HG3' ' CG1' ' A' ' 13' ' ' VAL . 60.4 mm-40 -90.74 -35.45 14.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.559 HD13 HG23 ' A' ' 36' ' ' ILE . 7.9 mp . . . . . 0 C--N 1.326 -0.414 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.67 -179.475 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.7 0.286 . . . . 0.0 111.379 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -165.32 173.9 10.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.511 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -39.22 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.97 0.414 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.87 -44.12 96.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.908 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.4 m -61.53 -41.35 89.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.519 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.755 HG23 ' O ' ' A' ' 49' ' ' GLU . 3.3 t -51.96 -56.52 5.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.678 0.275 . . . . 0.0 111.057 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -48.99 -41.34 34.04 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.027 0.441 . . . . 0.0 110.088 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' THR . 8.1 ttmt -70.23 -40.97 74.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.569 178.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 52' ' ' VAL . 47.6 t -57.76 -57.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.488 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.518 ' HE1' ' HA ' ' A' ' 28' ' ' LYS . 2.2 ppp? -59.02 -22.31 60.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.006 0.431 . . . . 0.0 109.961 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.75 -29.43 23.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.91 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.611 HG21 HG22 ' C' ' 10' ' ' ILE . 2.5 m -70.88 -30.09 66.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.784 HD12 ' SG ' ' A' ' 68' ' ' CYS . 16.5 mt -80.25 -19.97 45.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -49.47 99.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -83.59 -59.12 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 178.03 39.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.401 ' HA3' ' NZ ' ' A' ' 26' ' ' LYS . . . -95.67 -57.46 1.18 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.622 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -178.59 39.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 111.261 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.32 17.14 51.98 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.03 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -123.7 -177.48 3.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.723 0.296 . . . . 0.0 110.395 179.763 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.784 ' SG ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -107.86 86.33 2.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.81 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.57 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 4.6 p-10 -84.17 -162.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.714 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.506 ' CD1' HG23 ' A' ' 11' ' ' ILE . 3.6 t80 -71.84 -32.8 67.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.103 0.478 . . . . 0.0 110.669 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.94 -32.45 72.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.321 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 1.4 mm-40 -78.12 -22.6 48.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.741 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 1.1 m-30 -61.99 -46.85 87.42 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.766 ' HE1' HD21 ' A' ' 10' ' ' LEU . 19.1 mmt -63.38 -58.18 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.382 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.63 -25.05 24.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 80' ' ' VAL . 41.5 t80 -74.37 -73.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.718 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.594 HG13 ' CE ' ' B' ' 7' ' ' MET . 13.3 t -58.72 -19.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 74' ' ' MET . . . -81.66 -53.19 6.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.883 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.1 mtm -70.53 -45.59 65.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.229 0.538 . . . . 0.0 110.654 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.849 HG13 ' NE1' ' C' ' 7' ' ' TRP . 60.3 t -59.19 -55.21 25.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.142 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -71.57 -53.21 14.51 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.469 ' N ' ' CG2' ' A' ' 81' ' ' THR . 84.7 m -50.8 -23.44 2.75 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -82.03 -71.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.881 0.372 . . . . 0.0 111.679 -179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.476 ' HB2' HG22 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -87.71 -53.01 5.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.015 -178.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.429 ' HB3' ' O ' ' A' ' 81' ' ' THR . 7.9 t60 -49.04 -22.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.943 0.401 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -49.24 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.462 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.6 -7.43 7.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 . . . . . 0 N--CA 1.452 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 179.254 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.884 0.373 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -59.97 -23.2 63.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.4 -25.83 61.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.89 -45.02 13.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.098 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -72.65 -55.77 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.56 -179.538 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.418 ' HB1' ' CA ' ' A' ' 6' ' ' ALA . . . -56.99 -50.57 72.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 111.501 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.594 ' CE ' HG13 ' A' ' 77' ' ' VAL . 22.3 ttm -48.34 -66.73 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.898 0.38 . . . . 0.0 110.735 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.01 -19.87 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.677 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -60.32 -42.03 94.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.118 0.485 . . . . 0.0 109.902 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.8 HD21 ' HE1' ' B' ' 74' ' ' MET . 0.8 OUTLIER -72.0 -37.18 69.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.633 179.129 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.512 HG23 ' CD1' ' B' ' 70' ' ' PHE . 3.7 mt -66.69 -41.52 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.92 -40.09 28.68 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.736 HG12 HD11 ' B' ' 35' ' ' LEU . 41.4 t -57.82 -48.54 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.023 178.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.548 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -70.66 -27.46 64.06 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.416 179.292 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -77.5 -22.01 51.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.35 -38.44 24.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.948 0.404 . . . . 0.0 110.517 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.419 ' CG ' ' HG ' ' B' ' 35' ' ' LEU . 2.2 m-85 -82.9 -57.62 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -63.28 125.11 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 179.851 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.885 0.374 . . . . 0.0 111.094 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 19.9 t-160 60.99 41.04 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.981 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.631 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -174.91 148.49 1.05 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.135 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.631 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.4 mm? -129.12 138.49 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.171 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.512 ' HA ' ' HE1' ' B' ' 57' ' ' MET . 0.5 OUTLIER -111.92 -177.81 3.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.263 0.554 . . . . 0.0 111.836 -178.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -58.54 -19.73 40.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.962 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.0 t -83.13 -56.66 3.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.831 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 0.5 OUTLIER -74.78 -59.92 2.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.294 -179.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.473 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.6 tm? -42.66 -62.36 1.01 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.765 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.548 ' CE ' HG12 ' B' ' 53' ' ' VAL . 0.1 OUTLIER -52.89 -63.49 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 111.218 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -51.74 -26.36 9.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.435 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.736 HD11 HG12 ' B' ' 13' ' ' VAL . 0.4 OUTLIER -67.78 -57.19 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 0.0 111.106 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.54 HG23 HD13 ' B' ' 40' ' ' LEU . 1.6 mt -45.71 -63.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -56.48 -21.97 29.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.779 0.323 . . . . 0.0 110.939 179.451 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -84.46 -41.42 16.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.961 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.415 ' HG3' ' CG1' ' B' ' 13' ' ' VAL . 60.4 mm-40 -90.69 -35.44 14.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.54 HD13 HG23 ' B' ' 36' ' ' ILE . 7.9 mp . . . . . 0 C--N 1.327 -0.379 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.591 -179.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.6 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.2 OUTLIER . . . . . 0 CA--C 1.531 0.226 0 CA-C-O 120.614 0.245 . . . . 0.0 111.309 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.747 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.3 OUTLIER -165.41 173.83 10.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.47 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -39.17 61.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.73 -44.26 96.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.892 ' O ' HG23 ' B' ' 56' ' ' VAL . 25.4 m -61.48 -41.29 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.547 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.747 HG23 ' O ' ' B' ' 49' ' ' GLU . 3.3 t -52.0 -56.49 6.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.689 0.281 . . . . 0.0 111.088 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -49.01 -41.3 34.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.048 0.451 . . . . 0.0 110.077 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' B' ' 59' ' ' THR . 8.1 ttmt -70.27 -40.98 74.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.571 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 52' ' ' VAL . 47.2 t -57.66 -57.77 8.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.526 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.512 ' HE1' ' HA ' ' B' ' 28' ' ' LYS . 2.2 ppp? -58.99 -22.4 60.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.979 0.419 . . . . 0.0 109.963 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.64 -29.39 24.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.617 HG21 HG22 ' D' ' 10' ' ' ILE . 2.6 m -70.98 -30.15 66.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.781 HD12 ' SG ' ' B' ' 68' ' ' CYS . 16.5 mt -80.22 -19.82 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -49.59 99.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -83.59 -59.09 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 177.98 39.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.63 -57.53 1.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.62 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -178.61 39.26 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.771 0.319 . . . . 0.0 111.252 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.29 17.16 51.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.98 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.484 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.6 OUTLIER -123.77 -177.51 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.653 0.263 . . . . 0.0 110.351 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.781 ' SG ' HD12 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -107.86 86.44 2.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.839 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.576 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 4.6 p-10 -84.32 -162.08 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.656 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' B' ' 11' ' ' ILE . 3.6 t80 -71.8 -32.92 68.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.482 . . . . 0.0 110.673 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.85 -32.4 72.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.328 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.458 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 1.4 mm-40 -78.29 -22.45 48.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.743 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 1.1 m-30 -62.07 -46.83 87.4 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.8 ' HE1' HD21 ' B' ' 10' ' ' LEU . 19.1 mmt -63.34 -58.34 7.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.308 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.58 -25.03 23.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.007 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.599 ' O ' HG23 ' B' ' 80' ' ' VAL . 41.5 t80 -74.36 -73.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.596 HG13 ' CE ' ' A' ' 7' ' ' MET . 13.3 t -58.65 -19.47 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.245 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' B' ' 74' ' ' MET . . . -81.75 -53.14 6.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.844 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.2 mtm -70.53 -45.55 65.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.323 0.583 . . . . 0.0 110.746 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.846 HG13 ' NE1' ' D' ' 7' ' ' TRP . 59.8 t -59.14 -55.26 24.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.149 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -71.61 -53.18 14.53 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.642 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.472 ' N ' ' CG2' ' B' ' 81' ' ' THR . 85.1 m -50.8 -23.43 2.75 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' D' ' 1' ' ' THR . . . -82.0 -71.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 0.0 111.627 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . 0.46 ' HB2' HG22 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -87.68 -52.92 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.059 -178.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.425 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 7.9 t60 -49.09 -22.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -49.31 -64.85 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.503 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.61 -7.36 7.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.751 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 . . . . . 0 N--CA 1.453 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.569 179.208 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.759 0.314 . . . . 0.0 110.962 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.96 -4.79 31.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 0.804 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -80.68 -1.92 44.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.827 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 0.804 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 52.03 -7.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 123.901 0.88 . . . . 0.0 113.314 -179.373 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.586 ' H ' ' C ' ' C' ' 4' ' ' LYS . 22.9 t70 55.18 15.36 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.849 ' NE1' HG13 ' A' ' 80' ' ' VAL . 10.3 m0 -64.35 -32.54 74.19 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.719 ' O ' ' HA ' ' C' ' 12' ' ' SER . 50.0 m-20 102.21 -94.68 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.933 0.893 . . . . 0.0 113.29 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.471 ' H ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -96.26 -43.39 7.73 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -177.674 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.635 HG12 HG22 ' A' ' 56' ' ' VAL . 2.5 tp -52.05 -59.41 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.581 0.229 . . . . 0.0 110.803 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.605 ' H ' HG23 ' C' ' 10' ' ' ILE . 26.7 mt -92.23 -11.53 35.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.719 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 23.3 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.053 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . 0.436 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.696 0.284 . . . . 0.0 111.22 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -71.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.987 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.95 -4.72 32.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.609 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 0.796 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -80.82 -1.85 44.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.766 -0.197 . . . . 0.0 110.765 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 0.796 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 52.05 -7.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.924 0.89 . . . . 0.0 113.246 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' D' ' 4' ' ' LYS . 22.9 t70 55.26 15.38 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.846 ' NE1' HG13 ' B' ' 80' ' ' VAL . 10.3 m0 -64.5 -32.45 74.09 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.721 ' O ' ' HA ' ' D' ' 12' ' ' SER . 50.0 m-20 102.1 -94.68 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.913 0.885 . . . . 0.0 113.295 178.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . 0.463 ' H ' ' CG2' ' B' ' 59' ' ' THR . 0.0 OUTLIER -96.2 -43.43 7.73 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -177.721 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.639 HD11 ' HB ' ' B' ' 52' ' ' VAL . 2.5 tp -52.04 -59.36 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.501 0.191 . . . . 0.0 110.776 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.62 ' H ' HG23 ' D' ' 10' ' ' ILE . 26.5 mt -92.31 -11.53 34.88 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.721 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 23.3 t . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.967 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.807 0.337 . . . . 0.0 111.191 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.16 -24.68 63.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.651 ' HB2' HD21 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -63.33 -52.41 61.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -40.38 65.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 1.8 mtpp -61.24 -57.39 12.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -56.66 -50.23 72.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' MET . . . . . 0.544 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.7 ttm -47.92 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 t -69.66 -17.13 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.853 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -61.21 -43.52 98.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.251 0.548 . . . . 0.0 109.78 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -71.44 -38.51 71.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.477 178.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 7' ' ' MET . 2.7 mt -66.49 -33.1 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -51.74 -47.87 63.87 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.518 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.808 HG12 ' HG ' ' A' ' 35' ' ' LEU . 15.9 t -55.11 -43.9 72.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.018 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -72.07 -28.1 63.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.891 178.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -66.62 -20.75 66.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.02 -51.86 6.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.997 0.427 . . . . 0.0 109.913 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.776 ' CD2' HD11 ' A' ' 35' ' ' LEU . 20.0 m-85 -84.63 -65.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . 0.508 ' CB ' ' CD2' ' A' ' 14' ' ' PHE . 1.9 t -51.94 133.53 32.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.525 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.649 ' HA2' ' HB3' ' A' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.468 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.238 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.649 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER . . . . . 0 CA--C 1.528 0.102 0 CA-C-O 120.919 0.39 . . . . 0.0 111.043 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' HIS . . . . . 0.61 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.5 t-160 -165.39 52.39 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.82 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.867 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.5 mtpp -164.02 168.38 19.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.365 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.867 HD13 ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -133.16 137.91 46.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.179 178.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 16.2 mttt -93.7 179.54 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HA ' ' HE3' ' A' ' 57' ' ' MET . 20.7 mmtp -52.69 -34.89 54.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.484 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -84.05 -37.42 22.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.738 -179.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.75 ' HG2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.6 -67.44 0.53 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.594 ' C ' HD13 ' A' ' 32' ' ' LEU . 3.1 tm? -50.88 -61.03 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.974 0.416 . . . . 0.0 111.207 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.912 ' HG3' HG11 ' A' ' 53' ' ' VAL . 26.0 ttmt -50.6 -33.73 23.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.338 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.621 ' HB3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -56.56 -45.3 81.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.808 ' HG ' HG12 ' A' ' 13' ' ' VAL . 2.7 mm? -60.19 -44.55 94.99 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 121.378 0.608 . . . . 0.0 110.643 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ILE . . . . . 0.963 ' CG2' HD12 ' A' ' 40' ' ' LEU . 1.7 mt -52.03 -50.98 32.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.826 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.57 -19.54 52.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.693 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' GLU . 57.3 t30 -82.32 -29.4 31.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.673 0.273 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -117.62 -38.67 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.434 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.963 HD12 ' CG2' ' A' ' 36' ' ' ILE . 1.1 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.051 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.902 0.382 . . . . 0.0 111.138 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 53' ' ' VAL . 24.1 mt-10 -120.91 172.15 8.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.12 -33.62 63.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.001 0.429 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.9 -44.46 85.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.596 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 56' ' ' VAL . 15.1 m -63.98 -40.63 89.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.677 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.912 HG11 ' HG3' ' A' ' 33' ' ' LYS . 1.6 t -53.62 -54.87 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.807 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -37.27 40.13 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HB3' HG12 ' C' ' 10' ' ' ILE . 0.9 OUTLIER -74.4 -34.78 63.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.156 178.281 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 52' ' ' VAL . 70.0 t -60.95 -62.67 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.767 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.438 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -55.0 -29.78 58.06 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.98 0.419 . . . . 0.0 110.131 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 57' ' ' MET . 1.6 mt-10 -75.0 -31.32 61.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.493 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' THR . . . . . 0.815 HG23 ' HB3' ' C' ' 8' ' ' ASN . 60.0 m -72.0 -17.39 62.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.34 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.964 HD13 ' HB2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -104.04 -24.04 13.25 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.663 179.288 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -44.05 124.9 4.1 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.586 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -121.04 -40.74 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.817 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -162.39 52.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.407 ' HA3' ' CE ' ' A' ' 26' ' ' LYS . . . -124.4 0.77 8.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.861 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.28 13.54 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.588 0.233 . . . . 0.0 111.215 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.65 -3.42 8.7 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.176 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -96.69 172.58 7.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.0 0.429 . . . . 0.0 110.438 179.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . 0.582 ' SG ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -128.91 85.83 2.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.643 179.541 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . 0.531 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 1.1 p-10 -77.65 -156.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.484 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' PHE . . . . . 0.495 ' CD1' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -73.32 -44.56 58.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.923 0.392 . . . . 0.0 111.088 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.419 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 1.4 pt20 -56.7 -30.02 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.532 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 1.5 mm-40 -72.46 -33.2 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.3 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PHE . . . . . 0.658 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -55.3 -42.93 74.33 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.651 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' MET . . . . . 0.442 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 24.8 mmm -58.74 -58.22 9.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.139 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' O ' ' HE2' ' A' ' 79' ' ' MET . . . -55.54 -23.5 27.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' PHE . . . . . 0.964 ' HB2' HD13 ' A' ' 60' ' ' LEU . 20.3 t80 -75.76 -74.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.236 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 73' ' ' PHE . 1.7 m -58.46 -27.16 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.383 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -75.68 -45.97 33.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' MET . . . . . 0.404 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 26.5 mtm -76.52 -54.71 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.442 . . . . 0.0 111.28 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.621 HG22 ' CD2' ' C' ' 7' ' ' TRP . 95.1 t -53.32 -55.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.087 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -63.93 -48.3 77.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.73 -178.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.421 ' N ' ' CG2' ' A' ' 81' ' ' THR . 27.6 m -55.22 -20.56 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.597 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.74 -72.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.411 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 p -87.94 -50.98 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.034 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' HIS . . . . . 0.459 ' CD2' ' CZ ' ' B' ' 70' ' ' PHE . 2.9 t60 -47.58 -26.1 1.35 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.968 0.414 . . . . 0.0 110.67 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -44.73 -64.13 0.76 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.437 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.95 -20.03 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.743 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CZ ' ' HB ' ' C' ' 3' ' ' THR . 11.7 m-85 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.903 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.779 0.323 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.97 -24.75 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' LEU . . . . . 0.642 ' HB2' HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -63.27 -52.44 62.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -40.32 65.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' LYS . . . . . 0.559 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 1.8 mtpp -61.2 -57.51 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -56.42 -50.44 71.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' MET . . . . . 0.532 ' O ' HG13 ' B' ' 11' ' ' ILE . 2.7 ttm -47.91 -66.4 0.41 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.72 -17.11 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.896 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -61.13 -43.68 98.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 0.0 109.767 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.463 HD23 ' O ' ' B' ' 6' ' ' ALA . 0.8 OUTLIER -71.27 -38.63 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.549 178.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 7' ' ' MET . 2.7 mt -66.53 -33.04 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -51.66 -47.85 63.63 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.62 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' VAL . . . . . 0.799 HG12 ' HG ' ' B' ' 35' ' ' LEU . 15.7 t -55.12 -43.92 72.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.036 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -72.06 -28.14 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.899 178.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -66.6 -20.78 66.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.946 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.04 -51.9 6.73 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' TYR . . . . . 0.76 ' CD2' HD11 ' B' ' 35' ' ' LEU . 20.4 m-85 -84.6 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' SER . . . . . 0.508 ' CB ' ' CD2' ' B' ' 14' ' ' PHE . 2.0 t -51.94 133.49 32.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.511 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' GLY . . . . . 0.643 ' H ' ' HG2' ' B' ' 24' ' ' LYS . . . . . . . . 0 N--CA 1.449 -0.434 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.195 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' LYS . . . . . 0.643 ' HG2' ' H ' ' B' ' 19' ' ' GLY . 0.1 OUTLIER . . . . . 0 CA--C 1.529 0.169 0 CA-C-O 120.884 0.373 . . . . 0.0 111.099 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' HIS . . . . . 0.609 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 3.5 t-160 -165.37 52.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.776 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' LYS . . . . . 0.888 ' O ' HD13 ' B' ' 27' ' ' LEU . 1.4 mtpp -164.11 168.27 19.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LEU . . . . . 0.888 HD13 ' O ' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -132.99 137.91 46.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.789 0.328 . . . . 0.0 110.213 178.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -93.69 179.51 5.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.198 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' LYS . . . . . 0.426 ' HA ' ' HE3' ' B' ' 57' ' ' MET . 20.7 mmtp -52.7 -34.95 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.399 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' B' ' 34' ' ' GLU . 0.9 OUTLIER -84.04 -37.34 22.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.729 -179.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' GLU . . . . . 0.752 ' HG2' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -71.72 -67.45 0.53 Allowed 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' LEU . . . . . 0.597 HD13 ' C ' ' B' ' 32' ' ' LEU . 3.1 tm? -50.72 -61.0 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.098 0.475 . . . . 0.0 111.294 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LYS . . . . . 0.935 ' HG3' HG11 ' B' ' 53' ' ' VAL . 26.1 ttmt -50.77 -33.65 24.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.267 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.608 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -56.64 -45.32 81.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.042 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LEU . . . . . 0.799 ' HG ' HG12 ' B' ' 13' ' ' VAL . 2.7 mm? -60.04 -44.55 94.59 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 121.444 0.64 . . . . 0.0 110.748 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ILE . . . . . 0.957 ' CG2' HD12 ' B' ' 40' ' ' LEU . 1.7 mt -52.15 -50.96 33.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.724 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.61 -19.45 52.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.718 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 34' ' ' GLU . 57.4 t30 -82.39 -29.3 30.93 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.081 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 35' ' ' LEU . 18.7 mt-10 -117.77 -38.6 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.364 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.957 HD12 ' CG2' ' B' ' 36' ' ' ILE . 1.1 mt . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.014 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' LYS . . . . . 0.488 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.815 0.341 . . . . 0.0 111.088 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' GLU . . . . . 0.628 ' O ' HG23 ' B' ' 53' ' ' VAL . 24.0 mt-10 -120.78 172.14 8.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.396 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.25 -33.55 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.89 -44.54 84.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.527 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' VAL . . . . . 0.685 ' O ' HG23 ' B' ' 56' ' ' VAL . 15.0 m -63.97 -40.68 89.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.663 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' VAL . . . . . 0.935 HG11 ' HG3' ' B' ' 33' ' ' LYS . 1.6 t -53.52 -54.85 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.85 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.88 -37.15 41.88 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HB3' HG12 ' D' ' 10' ' ' ILE . 0.9 OUTLIER -74.34 -34.79 63.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.148 178.191 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 52' ' ' VAL . 69.8 t -60.98 -62.65 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.697 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' MET . . . . . 0.43 ' HG3' ' N ' ' B' ' 58' ' ' GLU . 0.0 OUTLIER -55.14 -29.7 58.28 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-O 120.995 0.426 . . . . 0.0 110.101 179.093 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' B' ' 57' ' ' MET . 1.6 mt-10 -74.98 -31.26 61.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.514 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' THR . . . . . 0.813 HG23 ' HB3' ' D' ' 8' ' ' ASN . 58.8 m -72.03 -17.38 62.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.317 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' LEU . . . . . 0.947 HD13 ' HB2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -104.09 -24.04 13.24 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.598 179.324 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -43.98 124.93 4.07 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.545 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -121.03 -40.79 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -162.39 52.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' GLY . . . . . 0.417 ' HA3' ' CE ' ' B' ' 26' ' ' LYS . . . -124.48 0.84 8.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.845 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.21 13.61 9.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.668 0.271 . . . . 0.0 111.245 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.6 -3.52 8.73 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.227 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLU . . . . . 0.476 ' HB3' ' HB3' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -96.7 172.67 7.75 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.971 0.415 . . . . 0.0 110.445 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' CYS . . . . . 0.593 ' SG ' HD12 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -128.97 85.7 2.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.684 179.617 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' ASP . . . . . 0.559 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 1.1 p-10 -77.52 -156.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.504 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -73.36 -44.5 58.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.968 0.413 . . . . 0.0 111.134 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 1.4 pt20 -56.67 -30.08 63.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.962 0.41 . . . . 0.0 110.917 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLU . . . . . 0.549 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 1.5 mm-40 -72.47 -33.16 66.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.269 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -55.36 -42.83 74.44 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' MET . . . . . 0.443 ' O ' ' CB ' ' B' ' 78' ' ' ALA . 24.2 mmm -58.83 -58.27 9.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.198 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' ALA . . . . . 0.427 ' O ' ' HE2' ' B' ' 79' ' ' MET . . . -55.44 -23.51 25.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' PHE . . . . . 0.947 ' HB2' HD13 ' B' ' 60' ' ' LEU . 20.4 t80 -75.82 -74.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.191 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 73' ' ' PHE . 1.7 m -58.29 -27.2 32.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.429 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -75.77 -46.01 33.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' MET . . . . . 0.427 ' HE2' ' O ' ' B' ' 75' ' ' ALA . 26.7 mtm -76.42 -54.83 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.438 . . . . 0.0 111.267 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' VAL . . . . . 0.632 HG22 ' CD2' ' D' ' 7' ' ' TRP . 94.0 t -53.2 -55.83 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.068 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' B' ' 85' ' ' HIS . 0.6 OUTLIER -63.97 -48.41 76.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.672 -178.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' B' ' 81' ' ' THR . 27.5 m -55.17 -20.59 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.54 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.64 -72.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.353 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 p -87.88 -51.05 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.059 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' HIS . . . . . 0.443 ' HB3' ' O ' ' B' ' 81' ' ' THR . 2.9 t60 -47.39 -26.27 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.907 0.384 . . . . 0.0 110.685 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -44.56 -64.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.527 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.97 -19.92 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.718 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' D' ' 3' ' ' THR . 11.8 m-85 . . . . . 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.902 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.9 0.381 . . . . 0.0 110.665 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' THR . . . . . 0.486 ' HB ' ' CZ ' ' A' ' 88' ' ' PHE . 10.6 t -98.43 1.68 47.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.297 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' LYS . . . . . 1.047 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -85.8 -2.39 58.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.014 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' ILE . . . . . 1.047 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 31.31 41.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.629 0.728 . . . . 0.0 111.14 -179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' ASP . . . . . 0.503 ' HB2' ' HD3' ' C' ' 4' ' ' LYS . 4.8 t0 -59.61 78.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.686 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' TRP . . . . . 0.621 ' CD2' HG22 ' A' ' 80' ' ' VAL . 18.8 m0 -79.02 -54.34 6.12 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 177.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' ASN . . . . . 0.815 ' HB3' HG23 ' A' ' 59' ' ' THR . 6.4 t-20 178.36 -100.57 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.477 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' LYS . . . . . 0.411 ' HD2' ' HG2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -98.46 -33.16 11.13 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -179.395 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' ILE . . . . . 0.748 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.77 -55.08 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.931 -178.288 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' LEU . . . . . 0.748 HD23 HG23 ' C' ' 10' ' ' ILE . 3.5 mm? -89.02 -33.5 17.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' SER . . . . . 0.454 ' OXT' ' CE ' ' C' ' 4' ' ' LYS . 46.0 t . . . . . 0 C--O 1.248 0.996 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.119 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.75 0.309 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -71.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.654 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 3' ' ' THR . . . . . 0.479 ' HB ' ' CZ ' ' B' ' 88' ' ' PHE . 10.7 t -98.44 1.69 47.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.362 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 4' ' ' LYS . . . . . 1.031 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -85.84 -2.36 58.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.082 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 5' ' ' ILE . . . . . 1.031 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 31.36 41.73 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.585 0.707 . . . . 0.0 111.149 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' ASP . . . . . 0.497 ' HB2' ' HD3' ' D' ' 4' ' ' LYS . 4.8 t0 -59.62 78.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.737 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' TRP . . . . . 0.632 ' CD2' HG22 ' B' ' 80' ' ' VAL . 18.9 m0 -79.05 -54.26 6.19 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' ASN . . . . . 0.813 ' HB3' HG23 ' B' ' 59' ' ' THR . 6.4 t-20 178.31 -100.52 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.466 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' LYS . . . . . 0.41 ' HD2' ' HG2' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -98.55 -33.14 11.1 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' ILE . . . . . 0.744 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.74 -55.15 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.916 -178.271 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' LEU . . . . . 0.744 HD23 HG23 ' D' ' 10' ' ' ILE . 3.5 mm? -88.91 -33.52 17.27 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 12' ' ' SER . . . . . 0.458 ' OXT' ' CE ' ' D' ' 4' ' ' LYS . 46.3 t . . . . . 0 C--O 1.248 0.999 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.099 178.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.488 1.426 0 CA-C-O 120.783 0.325 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.791 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.4 OUTLIER -60.17 -34.34 73.44 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.295 0.569 . . . . 0.0 110.947 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.757 HD22 HD11 ' B' ' 40' ' ' LEU . 3.1 mp -60.37 -26.18 66.43 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.371 -0.831 . . . . 0.0 111.51 -179.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -84.08 -37.4 22.1 Favored 'General case' 0 C--O 1.234 0.244 0 C-N-CA 121.052 -0.259 . . . . 0.0 111.359 -179.675 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.586 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -81.97 -40.03 22.8 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.635 0.255 . . . . 0.0 110.524 179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.522 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -64.6 -37.33 87.21 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.838 0.351 . . . . 0.0 110.427 179.193 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.432 ' O ' HG13 ' A' ' 11' ' ' ILE . 5.0 mtt -60.0 -61.03 2.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.117 179.337 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.7 -22.93 25.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.079 179.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.827 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -57.17 -41.62 79.6 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-O 121.247 0.546 . . . . 0.0 109.632 179.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.805 HD13 ' HE1' ' A' ' 74' ' ' MET . 3.1 mt -68.99 -48.42 63.13 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.373 -0.83 . . . . 0.0 109.856 178.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.883 HD11 ' CE1' ' B' ' 85' ' ' HIS . 7.7 mt -53.69 -53.12 28.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.368 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.81 -41.05 61.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.328 -179.71 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.827 HG23 ' O ' ' A' ' 9' ' ' ALA . 21.9 t -57.36 -45.43 85.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.346 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.599 ' HD2' HD11 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -82.3 -35.28 28.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.774 -179.739 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.445 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.0 OUTLIER -70.41 -22.37 62.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.151 -179.817 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 20.3 mm-40 -84.08 -46.71 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.887 0.375 . . . . 0.0 110.364 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.455 ' CZ ' ' HG ' ' A' ' 35' ' ' LEU . 5.5 m-85 -82.78 -59.5 2.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.112 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -61.43 124.68 21.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 -179.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.71 44.81 0.37 Allowed Glycine 0 N--CA 1.453 -0.203 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.655 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mtm105 -105.28 -45.8 4.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.758 0.313 . . . . 0.0 111.143 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.04 -48.93 74.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.094 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.58 -54.57 0.4 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.534 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -59.91 -39.01 83.97 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.862 0.363 . . . . 0.0 110.751 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.1 mttm 62.67 -170.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.744 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 22.7 t-160 57.24 37.96 28.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.062 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.744 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 0.0 OUTLIER -165.18 149.3 8.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.931 179.882 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.742 ' O ' ' HB2' ' A' ' 67' ' ' GLU . 2.2 mp -137.47 132.48 33.4 Favored 'General case' 0 CA--C 1.515 -0.387 0 CA-C-O 120.954 0.407 . . . . 0.0 111.607 179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -93.06 172.83 8.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.69 -179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 20.4 mttt -49.39 -28.78 5.43 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.278 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -83.21 -39.75 20.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.074 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.516 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 2.7 mm-40 -67.62 -45.09 76.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.524 -179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.22 -63.42 1.15 Allowed 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -179.239 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.537 ' HD3' ' H ' ' A' ' 33' ' ' LYS . 0.8 OUTLIER -46.33 -65.14 0.6 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.68 -179.161 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -47.2 -46.37 23.87 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.21 -179.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.75 HD11 HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -58.54 -46.43 86.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.13 0.49 . . . . 0.0 110.581 179.762 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.907 HG21 HG13 ' A' ' 47' ' ' ILE . 1.8 mt -59.61 -51.24 75.09 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.953 179.482 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.62 -14.93 63.36 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.167 178.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -88.13 -47.31 8.58 Favored 'General case' 0 C--O 1.231 0.124 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.25 -38.41 12.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.241 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.757 HD11 HD22 ' B' ' 3' ' ' LEU . 0.3 OUTLIER -109.13 77.47 1.07 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.782 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.89 -27.75 14.14 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.8 p80 -105.36 -24.37 12.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.167 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -130.3 82.39 2.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.799 0.333 . . . . 0.0 111.358 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.415 HD23 HG22 ' A' ' 36' ' ' ILE . 1.5 mt -89.23 -71.7 0.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.397 179.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 68.34 -64.2 0.31 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.463 179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.837 ' O ' HD13 ' A' ' 47' ' ' ILE . 3.0 pm0 -75.87 -4.03 38.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.884 -179.568 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.907 HG13 HG21 ' A' ' 36' ' ' ILE . 4.4 mm -141.56 112.61 3.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 CA-C-O 120.785 0.326 . . . . 0.0 110.535 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.85 -87.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.102 -179.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.624 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.1 mt-10 -94.09 -176.64 4.06 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.617 0.246 . . . . 0.0 110.535 179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -76.31 -40.51 51.33 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.886 0.374 . . . . 0.0 111.031 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.97 -41.88 95.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.3 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.746 ' O ' HG23 ' A' ' 56' ' ' VAL . 18.2 m -60.8 -44.43 97.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.216 -179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.782 HG22 ' CG2' ' A' ' 47' ' ' ILE . 1.5 t -51.73 -51.18 28.68 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.226 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.627 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -47.39 -45.48 25.24 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 120.999 0.428 . . . . 0.0 109.976 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.538 ' HB3' HD13 ' C' ' 10' ' ' ILE . 0.6 OUTLIER -71.39 -35.75 71.15 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 115.873 -0.603 . . . . 0.0 109.487 178.507 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.746 HG23 ' O ' ' A' ' 52' ' ' VAL . 98.1 t -59.12 -56.3 17.94 Favored 'Isoleucine or valine' 0 C--N 1.335 -0.06 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.303 179.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.421 ' HG2' ' HE3' ' A' ' 33' ' ' LYS . 0.1 OUTLIER -61.46 -26.35 67.83 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 121.037 0.446 . . . . 0.0 109.957 179.121 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.32 -31.63 48.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.304 179.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.756 HG22 ' HB2' ' C' ' 8' ' ' ASN . 8.3 m -64.32 -20.66 66.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.946 179.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.733 HD11 ' CD1' ' A' ' 76' ' ' PHE . 1.2 mp -109.77 -9.82 14.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.458 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.95 102.09 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 120.899 0.38 . . . . 0.0 111.103 -179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 12.6 t30 -114.82 -35.11 4.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.726 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.45 -94.34 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.958 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.83 22.45 6.43 Favored Glycine 0 N--CA 1.443 -0.848 0 N-CA-C 110.634 -0.987 . . . . 0.0 110.634 178.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.11 22.81 13.06 Favored 'General case' 0 N--CA 1.451 -0.419 0 N-CA-C 108.854 -0.795 . . . . 0.0 108.854 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.84 -53.27 0.81 Allowed Glycine 0 C--N 1.334 0.466 0 C-N-CA 120.592 -0.813 . . . . 0.0 112.943 -179.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.742 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 1.8 pt-20 -148.64 -176.03 5.16 Favored 'General case' 0 N--CA 1.45 -0.467 0 N-CA-C 110.317 -0.253 . . . . 0.0 110.317 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.615 ' O ' HD12 ' A' ' 27' ' ' LEU . 1.5 m -118.57 121.79 41.06 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.794 0.294 . . . . 0.0 111.794 -178.617 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.475 ' HA ' HD12 ' A' ' 27' ' ' LEU . 30.1 p30 -93.88 -153.84 0.39 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.519 -0.31 . . . . 0.0 110.222 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.516 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.9 t80 -72.48 -34.91 68.02 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.661 0.267 . . . . 0.0 111.3 -179.723 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.86 ' HA ' HG23 ' B' ' 82' ' ' THR . 0.1 OUTLIER -74.16 -25.49 59.76 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.827 -179.187 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.433 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 39.4 mm-40 -79.7 -39.81 30.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.747 0.308 . . . . 0.0 111.252 -179.717 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.516 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -77.97 -32.93 51.6 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.398 179.9 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.805 ' HE1' HD13 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -62.23 -42.84 99.67 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 109.896 -0.409 . . . . 0.0 109.896 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.37 -25.01 62.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.028 178.688 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.733 ' CD1' HD11 ' A' ' 60' ' ' LEU . 25.4 t80 -66.97 -70.73 0.23 Allowed 'General case' 0 CA--C 1.52 -0.21 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.823 179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.474 ' O ' ' HB ' ' A' ' 81' ' ' THR . 1.1 p -48.6 -29.6 2.68 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.219 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.665 179.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.92 -46.06 13.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.952 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.88 -55.28 20.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.36 0.6 . . . . 0.0 110.102 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.724 HG22 ' CE2' ' C' ' 7' ' ' TRP . 78.7 t -56.8 -37.45 53.58 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.923 179.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 77' ' ' VAL . 8.7 m -78.07 -65.2 1.0 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.432 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.847 HG23 ' HA ' ' B' ' 71' ' ' GLN . 34.3 m -44.19 -27.77 0.44 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.933 -0.576 . . . . 0.0 112.466 -178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.404 ' CB ' ' O ' ' C' ' 5' ' ' ILE . . . -82.3 -66.45 0.89 Allowed 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.71 -52.25 8.18 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 111.852 0.316 . . . . 0.0 111.852 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.87 ' CE1' HD11 ' B' ' 11' ' ' ILE . 0.1 OUTLIER -48.58 -21.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.094 0.474 . . . . 0.0 110.663 179.436 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.96 -64.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.56 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.69 -15.95 11.31 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.077 -179.807 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.73 -14.13 49.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.433 -0.349 . . . . 0.0 111.181 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.44 ' HB3' ' O ' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -48.57 -28.97 3.77 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.771 0.32 . . . . 0.0 111.317 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -70.54 -48.06 57.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.85 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.114 -0.946 . . . . 0.0 110.861 179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.487 1.417 0 CA-C-O 120.761 0.315 . . . . 0.0 111.418 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.817 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.4 OUTLIER -60.1 -34.47 73.53 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.397 0.618 . . . . 0.0 110.96 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.757 HD22 HD11 ' A' ' 40' ' ' LEU . 3.0 mp -60.26 -26.17 66.26 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.447 -179.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' B' ' 5' ' ' LYS . 0.0 OUTLIER -84.09 -37.37 22.13 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.615 0.245 . . . . 0.0 111.369 -179.64 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.582 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -82.03 -39.9 22.84 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 121.043 -0.263 . . . . 0.0 110.551 179.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.522 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -64.68 -37.32 87.17 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.931 0.396 . . . . 0.0 110.492 179.151 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.431 ' O ' HG13 ' B' ' 11' ' ' ILE . 5.0 mtt -60.01 -60.96 2.99 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.201 179.244 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 21.5 t -69.67 -23.03 25.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.032 179.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.843 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -57.19 -41.5 79.44 Favored 'General case' 0 CA--C 1.518 -0.255 0 CA-C-O 121.248 0.547 . . . . 0.0 109.692 179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.883 HD13 ' HE1' ' B' ' 74' ' ' MET . 3.1 mt -69.06 -48.36 63.0 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.388 -0.823 . . . . 0.0 109.899 178.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.87 HD11 ' CE1' ' A' ' 85' ' ' HIS . 7.8 mt -53.79 -53.06 29.29 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.337 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.376 -179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -51.85 -41.01 61.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.361 -179.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.843 HG23 ' O ' ' B' ' 9' ' ' ALA . 21.9 t -57.31 -45.45 85.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.371 -179.833 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.588 ' HD2' HD11 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -82.25 -35.43 28.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.731 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.444 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.0 OUTLIER -70.27 -22.47 62.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.178 -179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 20.4 mm-40 -84.04 -46.62 11.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.996 0.427 . . . . 0.0 110.461 179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.456 ' CE2' ' HG ' ' B' ' 35' ' ' LEU . 5.5 m-85 -82.95 -59.39 2.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.117 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.2 p -61.39 124.64 21.2 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.923 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 121.51 45.65 0.35 Allowed Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.541 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 14.8 mtm105 -106.14 -45.64 4.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.797 0.332 . . . . 0.0 111.083 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -64.2 -48.76 74.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.137 -179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 156.47 -54.52 0.4 Allowed Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.647 -0.787 . . . . 0.0 112.563 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -59.87 -39.0 83.79 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.885 0.374 . . . . 0.0 110.787 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 mttm 62.55 -170.41 0.17 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.065 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.737 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 22.7 t-160 57.13 38.03 28.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.067 -179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.737 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 0.0 OUTLIER -165.17 149.32 8.71 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.975 -0.557 . . . . 0.0 109.931 179.754 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.755 ' O ' ' HB2' ' B' ' 67' ' ' GLU . 2.2 mp -137.49 132.53 33.42 Favored 'General case' 0 CA--C 1.516 -0.353 0 CA-C-O 120.959 0.409 . . . . 0.0 111.621 179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.4 ' HA ' ' HB2' ' B' ' 67' ' ' GLU . 11.6 pttm -93.1 172.86 8.04 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.667 -179.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.483 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 20.3 mttt -49.41 -28.85 5.59 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.625 -0.716 . . . . 0.0 111.277 -179.813 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.3 m -83.09 -39.72 20.77 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.188 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.519 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 2.7 mm-40 -67.62 -45.11 76.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.489 -179.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 8.4 tt -72.19 -63.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.519 ' HD3' ' H ' ' B' ' 33' ' ' LYS . 0.8 OUTLIER -46.38 -65.1 0.6 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.684 -179.115 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -47.17 -46.46 23.62 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.138 -179.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.756 HD11 HG12 ' B' ' 13' ' ' VAL . 0.3 OUTLIER -58.46 -46.46 86.55 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.153 0.501 . . . . 0.0 110.625 179.763 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.888 HG21 HG13 ' B' ' 47' ' ' ILE . 1.8 mt -59.54 -51.35 73.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.056 179.392 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 -67.54 -14.88 63.33 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.183 178.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 -88.09 -47.3 8.6 Favored 'General case' 0 N--CA 1.457 -0.115 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -91.3 -38.42 12.66 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.21 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.757 HD11 HD22 ' A' ' 3' ' ' LEU . 0.3 OUTLIER -109.15 77.57 1.07 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.814 179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.98 -27.68 14.14 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.7 p80 -105.42 -24.4 12.65 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.163 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -130.27 82.47 2.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.797 0.332 . . . . 0.0 111.306 -179.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.431 HD23 HG22 ' B' ' 36' ' ' ILE . 1.5 mt -89.27 -71.77 0.59 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.386 179.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 68.43 -64.16 0.31 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.463 179.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.845 ' O ' HD13 ' B' ' 47' ' ' ILE . 3.0 pm0 -75.94 -4.08 39.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.341 -0.391 . . . . 0.0 111.846 -179.483 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.888 HG13 HG21 ' B' ' 36' ' ' ILE . 4.4 mm -141.59 112.62 3.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.851 0.358 . . . . 0.0 110.532 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.404 ' HB2' ' H ' ' B' ' 49' ' ' GLU . 0.0 OUTLIER -93.87 -87.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.178 -179.459 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.624 ' O ' HG23 ' B' ' 53' ' ' VAL . 2.1 mt-10 -94.19 -176.64 4.04 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.694 0.283 . . . . 0.0 110.483 179.769 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.0 tm0? -76.36 -40.52 50.96 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.837 0.351 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -64.96 -41.82 95.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.273 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.745 ' O ' HG23 ' B' ' 56' ' ' VAL . 18.3 m -60.69 -44.63 97.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.553 -0.294 . . . . 0.0 111.187 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.78 HG22 ' CG2' ' B' ' 47' ' ' ILE . 1.5 t -51.6 -51.24 27.19 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 C-N-CA 120.87 -0.332 . . . . 0.0 110.573 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -47.44 -45.39 25.64 Favored 'General case' 0 CA--C 1.521 -0.164 0 CA-C-O 121.047 0.451 . . . . 0.0 110.022 179.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.548 ' HB3' HD13 ' D' ' 10' ' ' ILE . 0.6 OUTLIER -71.4 -35.83 71.15 Favored 'General case' 0 N--CA 1.451 -0.396 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.443 178.5 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.745 HG23 ' O ' ' B' ' 52' ' ' VAL . 98.1 t -59.11 -56.2 18.55 Favored 'Isoleucine or valine' 0 C--O 1.231 0.127 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.342 179.215 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.412 ' HG2' ' HE3' ' B' ' 33' ' ' LYS . 0.1 OUTLIER -61.6 -26.28 67.88 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 120.998 0.428 . . . . 0.0 109.92 179.135 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -78.3 -31.69 48.99 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.293 179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.778 HG22 ' HB2' ' D' ' 8' ' ' ASN . 8.3 m -64.21 -20.73 66.23 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.966 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.732 HD11 ' CD1' ' B' ' 76' ' ' PHE . 1.2 mp -109.77 -9.77 14.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.475 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -44.94 102.11 0.03 OUTLIER 'General case' 0 N--CA 1.462 0.167 0 CA-C-O 120.889 0.376 . . . . 0.0 111.102 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 12.8 t30 -114.9 -35.07 4.89 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.709 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.37 -94.45 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.975 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -124.79 22.48 6.44 Favored Glycine 0 N--CA 1.444 -0.83 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 178.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.0 23.01 13.21 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 108.793 -0.818 . . . . 0.0 108.793 -178.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . -104.97 -53.25 0.81 Allowed Glycine 0 N--CA 1.448 -0.501 0 C-N-CA 120.632 -0.794 . . . . 0.0 112.936 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.755 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 1.8 pt-20 -148.63 -175.99 5.15 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-N 116.68 0.24 . . . . 0.0 110.394 -179.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.615 ' O ' HD12 ' B' ' 27' ' ' LEU . 1.5 m -118.59 121.83 41.14 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.971 -0.292 . . . . 0.0 111.731 -178.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.489 ' HA ' HD12 ' B' ' 27' ' ' LEU . 30.1 p30 -93.8 -153.85 0.38 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.222 179.172 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.521 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 4.9 t80 -72.5 -34.91 67.97 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 120.693 0.283 . . . . 0.0 111.315 -179.783 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.847 ' HA ' HG23 ' A' ' 82' ' ' THR . 0.1 OUTLIER -74.19 -25.54 59.76 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.431 -0.349 . . . . 0.0 111.77 -179.19 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.403 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 39.8 mm-40 -79.6 -39.86 30.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.767 0.317 . . . . 0.0 111.235 -179.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.521 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -77.94 -33.0 51.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.376 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.883 ' HE1' HD13 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -62.18 -42.81 99.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.996 0.427 . . . . 0.0 109.984 179.328 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -71.36 -25.0 62.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.032 178.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.732 ' CD1' HD11 ' B' ' 60' ' ' LEU . 25.3 t80 -66.92 -70.76 0.23 Allowed 'General case' 0 CA--C 1.519 -0.222 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.813 179.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.464 ' O ' ' HB ' ' B' ' 81' ' ' THR . 1.1 p -48.7 -29.58 2.76 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.234 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.621 179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -82.96 -45.95 13.51 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.929 -179.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 3.8 mtm -64.93 -55.31 19.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.431 0.634 . . . . 0.0 110.039 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.715 HG22 ' CE2' ' D' ' 7' ' ' TRP . 79.4 t -56.73 -37.52 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-N 115.041 -0.982 . . . . 0.0 110.935 179.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.464 ' HB ' ' O ' ' B' ' 77' ' ' VAL . 8.7 m -78.02 -65.18 1.01 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.443 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.86 HG23 ' HA ' ' A' ' 71' ' ' GLN . 33.9 m -44.17 -27.69 0.43 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.93 -0.577 . . . . 0.0 112.531 -178.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.407 ' CB ' ' O ' ' D' ' 5' ' ' ILE . . . -82.36 -66.57 0.87 Allowed 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 112.414 0.524 . . . . 0.0 112.414 -178.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.61 -52.11 8.41 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -178.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.883 ' CE1' HD11 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -48.69 -21.21 0.56 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.084 0.469 . . . . 0.0 110.569 179.453 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.9 -64.34 0.86 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.612 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.73 -15.95 11.29 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.075 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -84.74 -14.18 49.07 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.159 179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.451 ' HB3' ' O ' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -48.55 -29.02 3.79 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 120.778 0.323 . . . . 0.0 111.261 -179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -70.48 -48.14 57.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.895 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.201 -0.904 . . . . 0.0 110.903 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.415 0 CA-C-O 120.762 0.315 . . . . 0.0 111.259 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 7.1 mmt-85 -58.61 -71.41 0.12 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.008 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.462 HG22 ' O ' ' C' ' 3' ' ' THR . 51.0 m -98.59 -1.23 41.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.67 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.847 ' O ' HD12 ' C' ' 5' ' ' ILE . 2.2 tmtt? -85.95 -0.87 56.56 Favored 'General case' 0 C--O 1.224 -0.286 0 CA-C-N 116.66 -0.245 . . . . 0.0 110.722 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.847 HD12 ' O ' ' C' ' 4' ' ' LYS . 2.2 pp 57.15 -14.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.354 1.061 . . . . 0.0 113.82 -179.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.521 ' H ' ' C ' ' C' ' 4' ' ' LYS . 23.5 t0 69.09 -10.11 0.55 Allowed 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 114.778 1.399 . . . . 0.0 114.778 177.059 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.811 ' HE3' HG21 ' C' ' 10' ' ' ILE . 6.9 m0 -50.89 -70.35 0.09 Allowed 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 118.989 0.813 . . . . 0.0 109.567 -179.793 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.756 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.6 OUTLIER 150.36 -93.43 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 177.633 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.737 ' H ' HG23 ' A' ' 59' ' ' THR . 1.8 tmmm? -97.29 -36.83 10.28 Favored 'General case' 0 N--CA 1.466 0.363 0 N-CA-C 113.707 1.003 . . . . 0.0 113.707 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.811 HG21 ' HE3' ' C' ' 7' ' ' TRP . 1.5 tp -52.76 -60.07 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.33 0 O-C-N 122.283 -0.26 . . . . 0.0 111.433 -178.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.671 ' H ' HG23 ' C' ' 10' ' ' ILE . 11.2 mt -93.39 -29.27 15.69 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.202 0.525 . . . . 0.0 109.9 179.022 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.621 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 7.4 p . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.224 -0.893 . . . . 0.0 110.955 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.376 0 CA-C-O 120.825 0.345 . . . . 0.0 111.285 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 7.0 mmt-85 -58.52 -71.48 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.048 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . 0.466 HG22 ' O ' ' D' ' 3' ' ' THR . 51.2 m -98.59 -1.11 41.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.551 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.837 ' O ' HD12 ' D' ' 5' ' ' ILE . 2.2 tmtt? -86.1 -0.86 56.65 Favored 'General case' 0 C--O 1.223 -0.29 0 CA-C-N 116.768 -0.197 . . . . 0.0 110.607 179.47 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.837 HD12 ' O ' ' D' ' 4' ' ' LYS . 2.2 pp 57.22 -14.27 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 124.325 1.05 . . . . 0.0 113.747 -179.133 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.523 ' H ' ' C ' ' D' ' 4' ' ' LYS . 23.5 t0 69.15 -10.1 0.55 Allowed 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 114.71 1.374 . . . . 0.0 114.71 177.099 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.81 ' HE3' HG21 ' D' ' 10' ' ' ILE . 6.9 m0 -50.9 -70.28 0.09 Allowed 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 119.085 0.857 . . . . 0.0 109.575 -179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.778 ' HB2' HG22 ' B' ' 59' ' ' THR . 0.6 OUTLIER 150.38 -93.57 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 177.701 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . 0.725 ' H ' HG23 ' B' ' 59' ' ' THR . 1.8 tmmm? -97.23 -36.79 10.32 Favored 'General case' 0 CA--C 1.534 0.336 0 N-CA-C 113.734 1.013 . . . . 0.0 113.734 -177.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.81 HG21 ' HE3' ' D' ' 7' ' ' TRP . 1.6 tp -52.74 -60.08 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.34 0 O-C-N 122.405 -0.184 . . . . 0.0 111.467 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.687 ' H ' HG23 ' D' ' 10' ' ' ILE . 11.2 mt -93.38 -29.32 15.66 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 121.195 0.521 . . . . 0.0 109.894 178.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.625 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 7.2 p . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.309 -0.853 . . . . 0.0 111.011 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 40.4 m . . . . . 0 N--CA 1.486 1.359 0 CA-C-O 120.802 0.334 . . . . 0.0 111.36 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.814 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.6 OUTLIER -61.97 -35.93 79.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.194 0.521 . . . . 0.0 110.847 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.701 HD13 ' HA ' ' B' ' 40' ' ' LEU . 0.2 OUTLIER -47.33 -44.47 23.78 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.346 -0.843 . . . . 0.0 111.567 -179.791 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -80.71 -39.58 26.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.923 -179.763 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 3.1 mppt? -59.74 -49.14 78.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.811 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.408 ' HA ' ' HB2' ' B' ' 6' ' ' ALA . . . -64.96 -47.85 76.15 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.274 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -56.49 -49.81 73.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.05 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 11' ' ' ILE . 24.7 t -78.78 -21.94 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.595 -179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.784 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -63.29 -39.13 93.72 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.467 0.651 . . . . 0.0 109.276 179.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' HB3' ' HE1' ' A' ' 73' ' ' PHE . 5.4 mt -68.98 -48.49 62.97 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 114.978 -1.01 . . . . 0.0 109.746 178.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 8' ' ' VAL . 18.1 mt -63.88 -40.15 88.02 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.698 0 CA-C-N 115.143 -0.935 . . . . 0.0 111.092 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.81 -38.17 67.02 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.885 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.642 HG23 ' O ' ' A' ' 9' ' ' ALA . 24.2 t -63.64 -55.96 19.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.74 -179.853 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.619 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -72.65 -28.68 62.88 Favored 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.323 -179.393 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.495 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 6.4 t-80 -70.69 -20.72 62.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.702 0.287 . . . . 0.0 111.204 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.39 -41.56 16.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.916 0.389 . . . . 0.0 110.626 179.73 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.692 ' CD1' HD11 ' A' ' 35' ' ' LEU . 1.8 m-85 -83.19 -56.99 3.46 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.38 -179.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.649 ' HB3' HD11 ' A' ' 27' ' ' LEU . 18.4 p -49.6 -44.02 46.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.376 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.09 -28.95 4.44 Favored Glycine 0 CA--C 1.518 0.256 0 C-N-CA 120.956 -0.64 . . . . 0.0 113.143 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mtp-105 -59.29 -54.84 42.2 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.82 0.343 . . . . 0.0 110.989 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -57.44 171.6 0.41 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.967 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.77 -21.47 71.64 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.591 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.97 -41.89 15.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 0.0 111.103 -179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt 58.64 67.82 0.89 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.637 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.447 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 2.3 t-160 -179.88 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.038 -179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.954 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -111.32 159.6 17.81 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.259 -179.507 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.954 HD13 ' O ' ' A' ' 26' ' ' LYS . 1.3 mm? -134.97 133.9 39.97 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.007 0.432 . . . . 0.0 110.833 -179.788 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.36 174.36 9.62 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.8 -0.637 . . . . 0.0 111.439 -179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -52.0 -27.87 14.95 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 110.883 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -82.96 -36.65 24.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.749 179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.747 ' O ' HD22 ' A' ' 35' ' ' LEU . 36.3 mm-40 -72.6 -64.13 1.02 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.749 179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.579 ' C ' HD13 ' A' ' 32' ' ' LEU . 2.9 tm? -48.26 -46.9 36.23 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.178 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.671 ' CE ' HG12 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -55.74 -38.8 70.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.892 0.377 . . . . 0.0 110.936 179.789 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.472 ' CB ' ' CE2' ' A' ' 17' ' ' TYR . 3.1 mm-40 -62.7 -58.92 5.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.417 -179.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.747 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.2 mm? -46.24 -35.52 5.3 Favored 'General case' 0 CA--C 1.511 -0.528 0 CA-C-O 121.022 0.439 . . . . 0.0 111.479 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.86 HG23 HD12 ' A' ' 40' ' ' LEU . 1.0 OUTLIER -56.75 -63.72 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.82 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 59.2 m-80 -71.22 -11.02 60.7 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.535 178.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 22.5 t30 -91.97 -18.95 22.95 Favored 'General case' 0 C--O 1.232 0.171 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.286 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.501 ' O ' HD23 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -147.64 50.01 1.07 Allowed 'General case' 0 CA--C 1.531 0.241 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -179.407 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.86 HD12 HG23 ' A' ' 36' ' ' ILE . 72.6 mt -154.26 87.45 1.19 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.859 0.361 . . . . 0.0 110.844 178.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.6 m 55.51 25.44 7.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.072 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 55.19 30.3 14.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -173.97 -170.19 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.02 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.423 HD23 ' H ' ' A' ' 44' ' ' LEU . 0.2 OUTLIER -72.13 90.49 1.21 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.86 179.922 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.12 -60.73 1.57 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.943 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.569 ' HB2' HD13 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -85.02 2.54 42.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.35 179.905 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.874 ' CG2' HG22 ' A' ' 53' ' ' VAL . 12.2 pt -123.58 88.75 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.557 179.796 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.636 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -60.87 -14.29 21.09 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.522 -179.659 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.708 ' O ' HG23 ' A' ' 53' ' ' VAL . 4.1 tt0 -166.94 173.01 9.73 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.913 0.387 . . . . 0.0 110.755 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -73.67 -36.16 65.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.94 90.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.391 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.899 ' O ' HG23 ' A' ' 56' ' ' VAL . 34.4 m -63.22 -40.65 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.649 -0.25 . . . . 0.0 111.349 -179.698 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.874 HG22 ' CG2' ' A' ' 47' ' ' ILE . 2.6 t -54.1 -56.73 8.13 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.164 0 CA-C-O 120.693 0.282 . . . . 0.0 111.004 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.08 -40.0 44.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-O 121.025 0.44 . . . . 0.0 110.045 179.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.414 ' HB3' ' CG1' ' C' ' 10' ' ' ILE . 1.6 ttmm -73.84 -30.6 62.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.733 -0.667 . . . . 0.0 109.724 178.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.899 HG23 ' O ' ' A' ' 52' ' ' VAL . 93.3 t -65.0 -59.12 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.167 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.986 179.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -60.96 -28.41 68.96 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.022 0.439 . . . . 0.0 109.935 179.07 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.91 -31.71 51.32 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.366 179.387 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.812 HG23 ' H ' ' C' ' 9' ' ' LYS . 35.0 m -76.67 -16.58 59.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.709 179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.024 HD11 ' CD1' ' A' ' 76' ' ' PHE . 12.4 mt -101.06 -9.61 21.25 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.353 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 23.2 p-10 -38.83 99.28 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.157 0 CA-C-O 121.0 0.429 . . . . 0.0 111.695 -179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.409 ' O ' ' CB ' ' A' ' 63' ' ' ASP . 10.6 t-20 -72.95 -8.64 56.6 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.275 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.409 ' CB ' ' O ' ' A' ' 62' ' ' ASN . 0.8 OUTLIER 80.18 30.01 0.24 Allowed 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.913 0.387 . . . . 0.0 110.531 -179.628 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.24 -36.65 8.74 Favored Glycine 0 N--CA 1.448 -0.523 0 C-N-CA 120.898 -0.668 . . . . 0.0 112.441 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -173.24 37.42 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.835 0.35 . . . . 0.0 111.059 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.4 18.13 42.25 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.656 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.63 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 0.7 OUTLIER -139.63 -174.47 3.9 Favored 'General case' 0 N--CA 1.45 -0.443 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.598 ' O ' ' N ' ' A' ' 27' ' ' LEU . 34.8 m -109.43 118.58 37.02 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 112.404 0.52 . . . . 0.0 112.404 -178.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.717 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -101.17 -167.78 1.47 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 109.835 -0.432 . . . . 0.0 109.835 178.63 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.646 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 0.2 OUTLIER -73.1 -12.61 60.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.796 0.331 . . . . 0.0 111.212 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 18.0 pt20 -82.48 -30.31 29.99 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.621 ' OE1' HD13 ' A' ' 60' ' ' LEU . 2.7 pp20? -82.09 -35.66 28.4 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.941 0.349 . . . . 0.0 111.941 -179.253 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.646 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -79.63 -27.63 40.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.622 0.249 . . . . 0.0 110.918 -179.242 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.515 ' HG3' ' CZ ' ' A' ' 70' ' ' PHE . 34.4 mmm -69.38 -54.42 14.52 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.876 0.369 . . . . 0.0 110.119 179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -64.03 -24.5 67.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.39 179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 1.024 ' CD1' HD11 ' A' ' 60' ' ' LEU . 85.8 t80 -62.1 -74.9 0.08 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.158 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.436 ' O ' ' CG2' ' A' ' 81' ' ' THR . 4.0 m -44.78 -30.5 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.649 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.53 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.02 -34.3 22.35 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.102 -179.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.707 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 0.7 OUTLIER -82.78 -40.98 19.71 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 120.996 0.427 . . . . 0.0 111.331 -179.355 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.811 HG21 ' CE1' ' A' ' 76' ' ' PHE . 60.1 t -70.32 -36.72 68.3 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.862 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.442 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 5.7 t -73.24 -47.49 42.78 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.713 179.474 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.53 HG23 ' O ' ' A' ' 78' ' ' ALA . 6.3 p -53.18 -30.06 35.28 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.576 -179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' C' ' 5' ' ' ILE . . . -75.89 -69.65 0.48 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.062 0.393 . . . . 0.0 112.062 -179.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.662 ' HB2' HG22 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -87.0 -55.1 3.98 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 112.465 0.543 . . . . 0.0 112.465 -178.692 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.465 ' HA ' ' CA ' ' A' ' 89' ' ' GLU . 3.2 t-160 -44.65 -27.45 0.49 Allowed 'General case' 0 N--CA 1.464 0.228 0 CA-C-O 121.159 0.504 . . . . 0.0 110.751 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 82' ' ' THR . 33.5 tp10 -45.08 -65.31 0.55 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.817 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.68 -27.15 6.35 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.352 -0.386 . . . . 0.0 110.849 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 25.6 m-85 -83.96 -15.5 47.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.094 179.789 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.465 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 6.4 tt0 60.46 171.64 0.09 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.69 0.281 . . . . 0.0 110.703 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.45 -36.55 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.96 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--O 1.25 1.126 0 CA-C-O 118.207 -0.901 . . . . 0.0 110.841 179.955 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 40.6 m . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.789 0.328 . . . . 0.0 111.336 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.784 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -62.07 -35.94 80.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.216 0.531 . . . . 0.0 110.776 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.718 HD13 ' HA ' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -47.36 -44.52 24.09 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.343 -0.844 . . . . 0.0 111.576 -179.701 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.425 ' O ' HG23 ' B' ' 8' ' ' VAL . 0.7 OUTLIER -80.57 -39.58 27.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.959 -179.786 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.545 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 3.1 mppt? -59.79 -49.11 78.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.8 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.408 ' HB2' ' HA ' ' A' ' 6' ' ' ALA . . . -64.93 -47.94 75.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.226 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 2.6 tpp -56.5 -49.77 73.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.075 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.547 ' HA ' HD12 ' B' ' 11' ' ' ILE . 24.8 t -78.83 -21.97 12.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.536 -179.8 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.814 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -63.28 -39.07 93.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.527 0.68 . . . . 0.0 109.357 179.06 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.435 ' HB3' ' HE1' ' B' ' 73' ' ' PHE . 5.4 mt -69.01 -48.58 62.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.957 -1.019 . . . . 0.0 109.708 178.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.547 HD12 ' HA ' ' B' ' 8' ' ' VAL . 18.1 mt -63.86 -40.06 87.68 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.779 0 CA-C-N 115.221 -0.9 . . . . 0.0 111.174 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -54.82 -38.11 66.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.922 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.654 HG23 ' O ' ' B' ' 9' ' ' ALA . 24.3 t -63.71 -55.93 19.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.787 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.617 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -72.53 -28.75 63.04 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.35 -179.486 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.498 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 6.4 t-80 -70.58 -20.84 62.75 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.222 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.45 -41.45 16.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.795 0.331 . . . . 0.0 110.608 179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.695 ' CD1' HD11 ' B' ' 35' ' ' LEU . 1.8 m-85 -83.15 -57.1 3.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.328 -179.814 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.637 ' HB3' HD11 ' B' ' 27' ' ' LEU . 18.8 p -49.59 -44.0 46.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.324 -179.653 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -47.09 -28.96 4.43 Favored Glycine 0 CA--C 1.518 0.235 0 C-N-CA 120.987 -0.625 . . . . 0.0 113.069 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mtp-105 -59.33 -54.77 43.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.784 0.326 . . . . 0.0 110.996 -179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -57.59 171.57 0.44 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.974 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.73 -21.45 71.78 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.625 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.98 -41.86 15.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.73 0.3 . . . . 0.0 111.064 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 1.4 mttt 58.53 67.88 0.89 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.667 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.424 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 2.3 t-160 -179.92 -30.62 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.009 -179.729 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.938 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -111.29 159.59 17.8 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.324 -179.606 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.938 HD13 ' O ' ' B' ' 26' ' ' LYS . 1.3 mm? -134.89 133.93 40.16 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.001 0.429 . . . . 0.0 110.783 -179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -85.38 174.26 9.68 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.434 -179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 1.1 mtmp? -51.9 -27.8 14.14 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 3.6 m -83.02 -36.74 24.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.68 179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.739 ' O ' HD22 ' B' ' 35' ' ' LEU . 36.5 mm-40 -72.56 -64.17 1.01 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.706 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.574 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.8 tm? -48.18 -46.92 35.43 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.185 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.667 ' CE ' HG12 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -55.73 -38.75 70.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.989 179.825 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.466 ' CB ' ' CE2' ' B' ' 17' ' ' TYR . 3.1 mm-40 -62.64 -58.99 5.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.358 -179.612 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.739 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.2 mm? -46.28 -35.53 5.38 Favored 'General case' 0 CA--C 1.511 -0.53 0 CA-C-O 120.955 0.407 . . . . 0.0 111.463 -179.386 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.845 HG23 HD12 ' B' ' 40' ' ' LEU . 1.0 OUTLIER -56.7 -63.79 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.855 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 178.942 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 59.4 m-80 -71.16 -11.02 60.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.525 178.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.477 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 22.4 t30 -92.01 -18.92 22.96 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.263 -179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.518 ' O ' HD23 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -147.75 50.04 1.06 Allowed 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.156 0.428 . . . . 0.0 112.156 -179.358 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.845 HD12 HG23 ' B' ' 36' ' ' ILE . 72.4 mt -154.24 87.4 1.19 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.873 0.368 . . . . 0.0 110.925 178.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 68.0 m 55.61 25.39 8.0 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.121 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 72.6 m-70 55.22 30.31 14.36 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.993 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -174.03 -170.21 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.012 -179.852 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.413 ' H ' HD23 ' B' ' 44' ' ' LEU . 0.2 OUTLIER -72.19 90.56 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.91 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -96.14 -60.73 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.908 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.571 ' HB2' HD13 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -84.98 2.5 42.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.411 179.882 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.872 ' CG2' HG22 ' B' ' 53' ' ' VAL . 12.1 pt -123.56 88.85 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.542 179.773 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.637 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -60.89 -14.31 21.37 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.52 -179.66 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.699 ' O ' HG23 ' B' ' 53' ' ' VAL . 4.1 tt0 -166.91 173.0 9.76 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.814 0.34 . . . . 0.0 110.789 179.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 4.9 tt0 -73.61 -36.19 65.45 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.937 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.9 -41.91 90.89 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.383 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 56' ' ' VAL . 34.3 m -63.25 -40.59 89.61 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.647 -0.251 . . . . 0.0 111.384 -179.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.872 HG22 ' CG2' ' B' ' 47' ' ' ILE . 2.6 t -54.13 -56.67 8.49 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.134 0 CA-C-O 120.655 0.264 . . . . 0.0 111.031 -179.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -50.03 -40.14 43.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.087 0.47 . . . . 0.0 110.065 179.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.406 ' HB3' ' CG1' ' D' ' 10' ' ' ILE . 1.6 ttmm -73.74 -30.56 62.88 Favored 'General case' 0 N--CA 1.452 -0.332 0 CA-C-N 115.726 -0.67 . . . . 0.0 109.797 178.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.921 HG23 ' O ' ' B' ' 52' ' ' VAL . 93.6 t -65.02 -59.12 4.62 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.181 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.998 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 1.6 ppp? -61.09 -28.24 68.94 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 121.0 0.428 . . . . 0.0 109.942 179.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -77.96 -31.75 51.05 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.333 179.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.811 HG23 ' H ' ' D' ' 9' ' ' LYS . 36.2 m -76.62 -16.55 59.54 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.846 -0.616 . . . . 0.0 110.732 179.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 1.017 HD11 ' CD1' ' B' ' 76' ' ' PHE . 12.2 mt -101.1 -9.7 21.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.304 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 23.1 p-10 -38.73 99.21 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.156 0 CA-C-O 120.981 0.419 . . . . 0.0 111.706 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.411 ' O ' ' CB ' ' B' ' 63' ' ' ASP . 10.5 t-20 -72.82 -8.7 56.77 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.338 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . 0.411 ' CB ' ' O ' ' B' ' 62' ' ' ASN . 0.8 OUTLIER 80.07 30.17 0.25 Allowed 'General case' 0 C--N 1.332 -0.166 0 CA-C-O 120.986 0.422 . . . . 0.0 110.541 -179.56 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.36 -36.61 8.69 Favored Glycine 0 N--CA 1.449 -0.49 0 C-N-CA 120.823 -0.703 . . . . 0.0 112.335 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -173.18 37.36 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.811 0.338 . . . . 0.0 111.029 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 59.51 18.14 43.09 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.528 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.636 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 0.7 OUTLIER -139.68 -174.52 3.92 Favored 'General case' 0 N--CA 1.45 -0.463 0 N-CA-C 109.615 -0.513 . . . . 0.0 109.615 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.597 ' O ' ' N ' ' B' ' 27' ' ' LEU . 34.8 m -109.52 118.49 36.75 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.364 0.505 . . . . 0.0 112.364 -178.317 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.697 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -101.1 -167.75 1.47 Allowed 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 178.59 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.647 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 0.2 OUTLIER -73.13 -12.54 60.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.816 0.341 . . . . 0.0 111.236 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -82.52 -30.39 29.8 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.929 -179.51 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.633 ' OE1' HD13 ' B' ' 60' ' ' LEU . 2.7 pp20? -82.09 -35.59 28.45 Favored 'General case' 0 C--N 1.33 -0.247 0 N-CA-C 111.981 0.363 . . . . 0.0 111.981 -179.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.647 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -79.61 -27.58 41.04 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.638 0.256 . . . . 0.0 110.994 -179.339 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.511 ' HG3' ' CE2' ' B' ' 70' ' ' PHE . 34.4 mmm -69.37 -54.47 14.32 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.877 0.37 . . . . 0.0 110.078 179.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.509 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -64.11 -24.41 67.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.382 179.173 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 1.017 ' CD1' HD11 ' B' ' 60' ' ' LEU . 85.8 t80 -62.23 -74.86 0.08 Allowed 'General case' 0 CA--C 1.519 -0.213 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.109 179.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.439 ' O ' ' CG2' ' B' ' 81' ' ' THR . 4.0 m -44.79 -30.51 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.699 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.539 ' O ' HG23 ' B' ' 82' ' ' THR . . . -84.94 -34.4 22.47 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.077 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.707 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 0.7 OUTLIER -82.71 -41.02 19.81 Favored 'General case' 0 C--O 1.234 0.273 0 CA-C-O 121.023 0.44 . . . . 0.0 111.289 -179.254 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.807 HG21 ' CE1' ' B' ' 76' ' ' PHE . 60.0 t -70.35 -36.73 68.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.912 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.439 ' CG2' ' O ' ' B' ' 77' ' ' VAL . 5.7 t -73.21 -47.41 43.74 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.799 179.37 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.539 HG23 ' O ' ' B' ' 78' ' ' ALA . 6.3 p -53.29 -29.94 36.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.573 -179.672 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.443 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -75.97 -69.64 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.016 0.376 . . . . 0.0 112.016 -179.546 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.643 ' HB2' HG22 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -87.04 -54.96 4.04 Favored 'General case' 0 C--N 1.331 -0.205 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.652 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.466 ' HA ' ' CA ' ' B' ' 89' ' ' GLU . 3.2 t-160 -44.7 -27.49 0.5 Allowed 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 121.081 0.467 . . . . 0.0 110.683 -179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.461 ' HB2' ' O ' ' B' ' 82' ' ' THR . 33.5 tp10 -45.08 -65.35 0.54 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.774 -179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -117.66 -27.15 6.36 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.855 -179.839 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 25.5 m-85 -83.92 -15.58 47.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.037 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.466 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 6.4 tt0 60.47 171.64 0.09 Allowed 'General case' 0 C--O 1.231 0.096 0 CA-C-O 120.714 0.292 . . . . 0.0 110.704 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -84.46 -36.57 22.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.964 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 . . . . . 0 C--O 1.248 1.024 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.926 179.952 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . 0.88 HG22 ' HB2' ' C' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.724 0.297 . . . . 0.0 111.302 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -94.03 -71.78 0.64 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.721 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.58 ' O ' HD13 ' C' ' 5' ' ' ILE . 11.0 t -99.6 -9.51 23.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.52 179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.689 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.8 OUTLIER -81.34 -2.03 47.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.73 0.3 . . . . 0.0 111.029 179.859 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.766 HD11 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER 49.8 6.77 0.02 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 C-N-CA 123.347 0.659 . . . . 0.0 112.591 -179.085 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.88 ' HB2' HG22 ' C' ' 1' ' ' THR . 23.6 t0 48.22 43.31 18.71 Favored 'General case' 0 CA--C 1.534 0.344 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 177.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.721 ' NE1' HG13 ' A' ' 80' ' ' VAL . 11.6 m95 -83.21 -69.79 0.61 Allowed 'General case' 0 N--CA 1.465 0.285 0 C-N-CA 119.917 -0.713 . . . . 0.0 109.178 177.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.495 ' O ' ' HA ' ' C' ' 12' ' ' SER . 1.0 OUTLIER 154.79 -89.68 0.0 OUTLIER 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.123 178.777 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.812 ' H ' HG23 ' A' ' 59' ' ' THR . 3.5 tmtm? -97.27 -49.37 4.97 Favored 'General case' 0 CA--C 1.534 0.338 0 N-CA-C 112.991 0.738 . . . . 0.0 112.991 -179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.865 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.26 -48.53 55.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -177.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.865 HD23 HG23 ' C' ' 10' ' ' ILE . 3.1 mm? -92.41 -32.97 14.73 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.448 -0.575 . . . . 0.0 109.448 179.623 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 11.4 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.194 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . 0.914 HG22 ' HB2' ' D' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.757 0.313 . . . . 0.0 111.302 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 3.1 ttp180 -94.04 -71.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.711 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . 0.582 ' O ' HD13 ' D' ' 5' ' ' ILE . 11.0 t -99.62 -9.57 23.02 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.585 179.798 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.703 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.8 OUTLIER -81.43 -2.0 47.85 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-N 116.545 -0.298 . . . . 0.0 111.009 179.892 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.768 HD11 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER 49.85 6.71 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 C-N-CA 123.209 0.604 . . . . 0.0 112.618 -179.143 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.914 ' HB2' HG22 ' D' ' 1' ' ' THR . 23.5 t0 48.15 43.28 18.38 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 114.466 1.284 . . . . 0.0 114.466 177.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.732 ' NE1' HG13 ' B' ' 80' ' ' VAL . 11.6 m95 -83.16 -69.78 0.61 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 119.865 -0.734 . . . . 0.0 109.239 177.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.487 ' O ' ' HA ' ' D' ' 12' ' ' SER . 1.0 OUTLIER 154.8 -89.67 0.0 OUTLIER 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.06 178.725 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . 0.811 ' H ' HG23 ' B' ' 59' ' ' THR . 3.5 tmtm? -97.33 -49.25 5.0 Favored 'General case' 0 CA--C 1.534 0.357 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 -178.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.863 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.24 -48.6 54.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.431 0.53 . . . . 0.0 112.431 -178.033 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.863 HD23 HG23 ' D' ' 10' ' ' ILE . 3.1 mm? -92.42 -32.92 14.74 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.629 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 11.2 p . . . . . 0 C--O 1.248 0.995 0 CA-C-O 118.179 -0.915 . . . . 0.0 111.285 179.637 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.486 1.333 0 CA-C-O 120.922 0.392 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -59.71 -24.23 63.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.065 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.819 HD13 HD21 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -59.97 -43.69 94.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.818 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.566 ' O ' HG23 ' A' ' 8' ' ' VAL . 0.4 OUTLIER -73.45 -33.59 64.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.91 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.73 -55.89 11.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.923 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -59.26 -41.38 88.7 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.118 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.403 ' CE ' HG12 ' B' ' 77' ' ' VAL . 5.1 mtm -58.49 -53.18 61.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.817 ' HA ' HG13 ' A' ' 11' ' ' ILE . 24.6 t -72.35 -26.3 24.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.224 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.556 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.53 -37.89 89.05 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.209 0.528 . . . . 0.0 109.835 179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.444 ' O ' ' CE2' ' A' ' 73' ' ' PHE . 4.8 mt -66.63 -41.82 87.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.567 -0.742 . . . . 0.0 109.67 178.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.945 HG23 ' CD1' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -70.94 -40.22 76.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.407 179.47 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.59 -37.81 13.19 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.123 0.487 . . . . 0.0 110.026 179.357 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG23 ' O ' ' A' ' 9' ' ' ALA . 2.6 t -75.32 -44.97 41.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.113 179.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.498 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -67.15 -26.98 66.93 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-O 120.878 0.371 . . . . 0.0 110.584 179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -81.74 -22.33 37.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.096 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 24.5 mt-30 -78.43 -40.96 34.28 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.956 0.408 . . . . 0.0 110.021 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.44 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 3.0 m-85 -82.92 -59.61 2.43 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.881 179.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.451 ' HB2' HD13 ' A' ' 27' ' ' LEU . 17.8 t -70.5 119.46 14.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.928 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.09 -55.91 0.43 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.586 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -57.43 -28.4 63.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.349 . . . . 0.0 110.96 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -60.64 -48.5 81.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.877 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.23 -66.36 0.46 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.8 -0.714 . . . . 0.0 112.659 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.52 -37.49 75.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.822 0.344 . . . . 0.0 111.036 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt 62.77 161.72 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.458 ' HA ' ' CE2' ' A' ' 14' ' ' PHE . 2.9 t-160 63.57 52.12 2.36 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.956 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.623 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -176.39 157.29 1.68 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.335 -179.826 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.623 HD13 ' O ' ' A' ' 26' ' ' LYS . 2.7 mm? -134.58 136.66 43.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.87 0.367 . . . . 0.0 110.617 179.596 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.472 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.7 OUTLIER -117.02 -175.57 2.81 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.503 -179.706 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.405 ' HA ' ' HG3' ' A' ' 33' ' ' LYS . 2.4 mttp -58.1 -29.99 65.92 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.843 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -54.3 7.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.32 -60.5 2.27 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.366 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.497 ' C ' HD13 ' A' ' 32' ' ' LEU . 2.5 tm? -44.35 -67.45 0.28 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.88 -179.541 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HG3' ' HA ' ' A' ' 29' ' ' LYS . 72.7 mttt -51.61 -57.48 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.822 0.344 . . . . 0.0 111.512 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.09 -35.17 59.3 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.751 0.31 . . . . 0.0 110.486 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.683 ' O ' HD23 ' A' ' 35' ' ' LEU . 1.8 tt -62.18 -40.22 95.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.126 0.488 . . . . 0.0 110.26 179.547 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.779 ' HA ' HD12 ' A' ' 40' ' ' LEU . 3.1 mt -52.41 -67.34 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.006 179.33 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 20.3 m-20 -58.09 -18.68 26.52 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.444 178.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -81.06 -41.58 22.37 Favored 'General case' 0 N--CA 1.455 -0.177 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.89 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -139.57 51.05 1.75 Allowed 'General case' 0 CA--C 1.529 0.149 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 36' ' ' ILE . 85.2 mt -156.15 102.54 2.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.886 0.374 . . . . 0.0 110.91 178.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.08 -69.26 0.79 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.944 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.22 -67.07 0.31 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.766 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.55 116.05 23.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.201 179.455 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt 61.24 55.33 2.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.004 0.43 . . . . 0.0 110.297 -179.366 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -45.79 -54.15 8.47 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.504 -179.546 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.612 ' O ' ' O ' ' A' ' 47' ' ' ILE . 5.1 mt-10 -149.65 51.43 0.93 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.174 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.824 ' CG2' HG22 ' A' ' 53' ' ' VAL . 0.3 OUTLIER 43.11 120.82 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.29 0 CA-C-O 121.211 0.529 . . . . 0.0 112.196 179.421 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.869 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -49.08 -29.34 5.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.668 -179.546 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.682 ' O ' HG23 ' A' ' 53' ' ' VAL . 2.4 tp10 179.77 174.32 0.85 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.542 -179.858 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.51 -24.74 63.8 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.917 0.389 . . . . 0.0 110.693 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.75 -40.61 40.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.33 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.869 HG11 ' HB2' ' A' ' 48' ' ' LYS . 2.7 m -63.0 -43.8 99.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.074 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.824 HG22 ' CG2' ' A' ' 47' ' ' ILE . 0.6 OUTLIER -58.93 -52.48 60.01 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.029 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -47.66 -37.19 12.31 Favored 'General case' 0 CA--C 1.521 -0.168 0 CA-C-O 121.106 0.479 . . . . 0.0 109.965 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.494 ' HB3' HG12 ' C' ' 10' ' ' ILE . 0.8 OUTLIER -79.61 -37.49 36.05 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.806 -0.813 . . . . 0.0 108.806 178.089 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.5 t -54.2 -54.94 17.12 Favored 'Isoleucine or valine' 0 C--O 1.231 0.112 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.651 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.06 -36.49 70.61 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 178.369 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.47 -36.55 81.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.18 -0.918 . . . . 0.0 110.103 178.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.459 HG23 ' H ' ' C' ' 9' ' ' LYS . 0.2 OUTLIER -63.05 -23.99 67.71 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.278 179.373 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.613 HD11 ' CD1' ' A' ' 76' ' ' PHE . 0.4 OUTLIER -89.31 -29.83 18.88 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.776 179.785 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.51 100.84 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.348 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.45 -39.44 2.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.543 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.37 42.22 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.458 179.813 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.441 ' CA ' ' HE2' ' A' ' 26' ' ' LYS . . . -101.35 5.44 55.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.663 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t0 71.87 24.12 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.78 0.324 . . . . 0.0 110.868 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.51 -33.8 4.18 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.779 179.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.516 ' HB3' ' CG ' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -105.59 -177.12 3.27 Favored 'General case' 0 N--CA 1.451 -0.419 0 CA-C-O 120.919 0.39 . . . . 0.0 110.55 179.934 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.582 ' HA ' ' HG3' ' A' ' 72' ' ' GLU . 14.2 m -114.78 112.84 23.42 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.604 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.475 ' HB3' ' HE3' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -100.63 -173.57 2.43 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 109.264 -0.643 . . . . 0.0 109.264 178.363 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.945 ' CD1' HG23 ' A' ' 11' ' ' ILE . 55.0 t80 -52.81 -32.09 42.26 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.126 0.489 . . . . 0.0 111.446 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.7 -38.93 76.08 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.857 -179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.582 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 2.8 mm-40 -75.58 -27.0 58.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.534 179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.857 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -51.26 -53.72 32.85 Favored 'General case' 0 CA--C 1.518 -0.281 0 CA-C-O 121.18 0.514 . . . . 0.0 109.794 179.042 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.533 ' HG3' HG21 ' B' ' 81' ' ' THR . 18.5 mmt -61.67 -52.86 62.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.057 179.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.84 -38.97 52.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 121.118 0.485 . . . . 0.0 110.701 179.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.613 ' CD1' HD11 ' A' ' 60' ' ' LEU . 52.8 t80 -66.57 -72.78 0.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.736 179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.857 HG22 ' O ' ' A' ' 73' ' ' PHE . 1.1 m -52.44 -26.25 9.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.199 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.439 ' HA ' ' HB3' ' B' ' 74' ' ' MET . . . -81.39 -51.65 8.11 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.912 -179.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 47.4 mtm -65.35 -46.32 80.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.156 0.503 . . . . 0.0 110.18 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.818 HG22 ' CE2' ' C' ' 7' ' ' TRP . 59.9 t -60.81 -35.07 61.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.561 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.65 HG23 ' HB3' ' A' ' 85' ' ' HIS . 1.6 m -71.57 -57.7 4.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.086 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 27.0 p -48.05 -25.98 1.64 Allowed 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 112.496 0.554 . . . . 0.0 112.496 -178.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.463 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -81.75 -72.21 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.608 -0.437 . . . . 0.0 111.555 -179.713 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.712 ' HB3' HG22 ' C' ' 5' ' ' ILE . 7.8 p -88.85 -51.92 5.38 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.613 0.597 . . . . 0.0 112.613 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.65 ' HB3' HG23 ' A' ' 81' ' ' THR . 3.6 t60 -53.31 -18.0 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.859 -0.336 . . . . 0.0 110.824 -179.697 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.73 -64.37 0.71 Allowed 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.36 179.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -28.46 4.53 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.136 179.393 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.413 ' O ' ' N ' ' A' ' 90' ' ' HIS . 51.2 m-85 -77.03 -20.13 56.31 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.488 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.47 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 20.1 tt0 67.65 -66.77 0.2 Allowed 'General case' 0 N--CA 1.462 0.139 0 CA-C-O 120.688 0.28 . . . . 0.0 111.025 179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 88' ' ' PHE . 49.2 m80 -142.33 -51.03 0.38 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.396 -0.365 . . . . 0.0 111.006 179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.252 -0.88 . . . . 0.0 110.826 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 79.6 p . . . . . 0 N--CA 1.486 1.33 0 CA-C-O 120.846 0.355 . . . . 0.0 111.218 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 13.8 mt-10 -60.0 -24.18 64.25 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.981 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.724 HD13 HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -59.88 -43.79 94.55 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.567 ' O ' HG23 ' B' ' 8' ' ' VAL . 0.4 OUTLIER -73.37 -33.61 65.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.978 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -55.76 11.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.615 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -59.35 -41.46 89.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.2 mtm -58.38 -53.17 61.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.937 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.798 ' HA ' HG13 ' B' ' 11' ' ' ILE . 24.8 t -72.45 -26.24 24.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.253 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.548 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.51 -37.96 89.32 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.205 0.526 . . . . 0.0 109.847 179.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.444 ' O ' ' CE2' ' B' ' 73' ' ' PHE . 4.8 mt -66.69 -41.66 87.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.69 179.039 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.96 HG23 ' CD1' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -70.93 -40.25 76.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.442 179.386 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -47.68 -37.77 13.64 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 121.12 0.486 . . . . 0.0 109.949 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.553 ' CG1' HD21 ' B' ' 35' ' ' LEU . 2.6 t -75.33 -45.0 41.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.037 179.334 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.495 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -67.11 -27.0 66.97 Favored 'General case' 0 N--CA 1.462 0.149 0 CA-C-O 120.886 0.374 . . . . 0.0 110.626 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -81.76 -22.25 37.33 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.053 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 24.4 mt-30 -78.43 -40.87 34.54 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.005 0.431 . . . . 0.0 110.056 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.443 ' CZ ' ' HA ' ' B' ' 35' ' ' LEU . 3.0 m-85 -82.9 -59.65 2.42 Favored 'General case' 0 N--CA 1.453 -0.303 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.937 179.588 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.457 ' HB2' HD13 ' B' ' 27' ' ' LEU . 18.0 t -70.5 119.46 14.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.932 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 153.12 -55.97 0.43 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.605 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -57.39 -28.36 63.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.836 0.351 . . . . 0.0 111.016 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -60.63 -48.51 81.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.911 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.29 -66.46 0.46 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.633 -0.794 . . . . 0.0 112.551 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -58.49 -37.51 75.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.896 0.379 . . . . 0.0 111.058 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 22.0 ttpt 62.87 161.69 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.988 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.46 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 2.9 t-160 63.52 52.13 2.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.082 0.468 . . . . 0.0 110.973 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.618 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -176.32 157.26 1.7 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.343 -179.873 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.618 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.7 mm? -134.55 136.6 43.14 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-O 120.908 0.385 . . . . 0.0 110.623 179.544 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.7 OUTLIER -116.95 -175.47 2.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.503 -179.816 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.41 ' HA ' ' HG3' ' B' ' 33' ' ' LYS . 2.4 mttp -58.15 -29.92 65.96 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.879 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.16 -54.37 7.25 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -75.29 -60.47 2.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.385 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.491 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.5 tm? -44.35 -67.49 0.28 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.865 -179.539 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.41 ' HG3' ' HA ' ' B' ' 29' ' ' LYS . 72.7 mttt -51.63 -57.39 9.29 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.508 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -53.18 -35.1 59.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.806 0.336 . . . . 0.0 110.525 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.674 ' O ' HD23 ' B' ' 35' ' ' LEU . 1.7 tt -62.21 -40.22 95.39 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.142 0.496 . . . . 0.0 110.287 179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.8 ' HA ' HD12 ' B' ' 40' ' ' LEU . 3.1 mt -52.38 -67.41 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.579 -0.737 . . . . 0.0 109.974 179.311 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -57.99 -18.76 25.98 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.461 178.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 18.5 t-20 -81.02 -41.62 22.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.89 -179.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -139.53 50.98 1.76 Allowed 'General case' 0 N--CA 1.462 0.162 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -178.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.819 HD21 HD13 ' A' ' 3' ' ' LEU . 83.6 mt -156.09 102.64 2.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.865 0.364 . . . . 0.0 110.851 178.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -102.14 -69.29 0.79 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.93 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 2.5 t60 -55.09 -67.26 0.29 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.741 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -85.39 116.03 23.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.228 179.489 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . . . . . . . . . 2.1 mt 61.23 55.3 3.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.1 0.476 . . . . 0.0 110.279 -179.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 17.5 tt0 -45.76 -54.21 8.3 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.49 -179.59 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.597 ' O ' ' O ' ' B' ' 47' ' ' ILE . 5.1 mt-10 -149.69 51.43 0.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.26 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.829 ' CG2' HG22 ' B' ' 53' ' ' VAL . 0.3 OUTLIER 43.27 120.81 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 CA-C-O 121.224 0.535 . . . . 0.0 112.125 179.313 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.844 ' HB2' HG11 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -49.14 -29.29 5.21 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.672 -179.555 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.688 ' O ' HG23 ' B' ' 53' ' ' VAL . 2.4 tp10 179.71 174.25 0.85 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.549 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -69.44 -24.78 63.86 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.915 0.388 . . . . 0.0 110.634 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.3 pt-20 -77.74 -40.65 40.35 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.304 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.844 HG11 ' HB2' ' B' ' 48' ' ' LYS . 2.7 m -63.04 -43.82 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.975 -179.605 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.829 HG22 ' CG2' ' B' ' 47' ' ' ILE . 0.6 OUTLIER -58.89 -52.43 60.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.065 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -47.74 -37.11 12.62 Favored 'General case' 0 CA--C 1.52 -0.182 0 CA-C-O 121.101 0.477 . . . . 0.0 109.959 179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.492 ' HB3' HG12 ' D' ' 10' ' ' ILE . 0.8 OUTLIER -79.63 -37.48 35.96 Favored 'General case' 0 N--CA 1.449 -0.505 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 178.003 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.766 HG23 ' O ' ' B' ' 52' ' ' VAL . 53.6 t -54.22 -54.92 17.35 Favored 'Isoleucine or valine' 0 C--O 1.231 0.087 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.679 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.12 -36.56 70.8 Favored 'General case' 0 N--CA 1.455 -0.217 0 N-CA-C 108.744 -0.835 . . . . 0.0 108.744 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.42 -36.45 81.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.157 178.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.466 HG23 ' H ' ' D' ' 9' ' ' LYS . 0.2 OUTLIER -63.2 -23.93 67.65 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.251 179.375 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.602 HD11 ' CD1' ' B' ' 76' ' ' PHE . 0.4 OUTLIER -89.34 -29.87 18.82 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.773 179.721 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -49.55 100.95 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.295 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -122.45 -39.45 2.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.528 179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -172.34 42.13 0.02 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.488 179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.44 ' CA ' ' HE2' ' B' ' 26' ' ' LYS . . . -101.29 5.46 55.45 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.684 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.2 t0 71.91 24.09 3.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.818 0.342 . . . . 0.0 110.82 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 121.53 -33.79 4.18 Favored Glycine 0 N--CA 1.448 -0.563 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.848 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.517 ' HB3' ' CG ' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -105.54 -177.11 3.27 Favored 'General case' 0 N--CA 1.451 -0.417 0 CA-C-O 120.85 0.357 . . . . 0.0 110.623 179.868 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.558 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 14.0 m -114.8 112.83 23.4 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.625 -179.742 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.466 ' HB3' ' HE3' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -100.65 -173.6 2.44 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.242 -0.651 . . . . 0.0 109.242 178.416 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.96 ' CD1' HG23 ' B' ' 11' ' ' ILE . 56.6 t80 -52.82 -31.92 41.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.971 0.415 . . . . 0.0 111.496 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -57.82 -38.98 76.54 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.832 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.558 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 2.8 mm-40 -75.45 -27.12 58.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.538 179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.863 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -51.33 -53.78 32.74 Favored 'General case' 0 CA--C 1.519 -0.25 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 179.094 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.567 ' HG3' HG21 ' A' ' 81' ' ' THR . 18.6 mmt -61.59 -52.9 62.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.022 179.103 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -50.88 -38.93 52.56 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 121.042 0.448 . . . . 0.0 110.681 179.158 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.602 ' CD1' HD11 ' B' ' 60' ' ' LEU . 52.7 t80 -66.52 -72.82 0.15 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.841 -0.618 . . . . 0.0 110.761 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.863 HG22 ' O ' ' B' ' 73' ' ' PHE . 1.1 m -52.45 -26.22 9.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.259 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.428 ' HA ' ' HB3' ' A' ' 74' ' ' MET . . . -81.34 -51.74 8.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.929 -179.495 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 47.6 mtm -65.27 -46.37 80.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.148 0.499 . . . . 0.0 110.227 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.818 HG22 ' CE2' ' D' ' 7' ' ' TRP . 58.7 t -60.77 -34.97 61.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.544 179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.662 HG23 ' HB3' ' B' ' 85' ' ' HIS . 1.5 m -71.49 -58.02 3.89 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.113 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 28.4 p -47.92 -25.75 1.46 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -178.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.477 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -81.91 -72.21 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 C-N-CA 120.582 -0.447 . . . . 0.0 111.524 -179.786 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.707 ' HB3' HG22 ' D' ' 5' ' ' ILE . 7.8 p -88.86 -52.03 5.32 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.62 0.6 . . . . 0.0 112.62 -178.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.662 ' HB3' HG23 ' B' ' 81' ' ' THR . 3.7 t60 -53.25 -17.98 2.08 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.83 -0.348 . . . . 0.0 110.852 -179.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -44.58 -64.36 0.71 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.404 179.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -121.87 -28.38 4.48 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.137 179.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' B' ' 90' ' ' HIS . 50.7 m-85 -76.96 -20.19 56.42 Favored 'General case' 0 N--CA 1.454 -0.26 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.376 179.144 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.469 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 19.9 tt0 67.62 -66.8 0.2 Allowed 'General case' 0 N--CA 1.462 0.15 0 CA-C-O 120.751 0.31 . . . . 0.0 111.105 179.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.405 ' N ' ' O ' ' B' ' 88' ' ' PHE . 49.1 m80 -142.41 -50.93 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.926 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.233 -0.889 . . . . 0.0 110.801 -179.974 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.423 0 CA-C-O 120.623 0.249 . . . . 0.0 111.309 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . 0.403 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 9.0 mpt_? -49.55 -71.83 0.06 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.924 0.392 . . . . 0.0 110.531 179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.18 1.3 44.79 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.147 179.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 1.012 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -78.92 -2.33 39.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.045 179.677 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 1.012 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 35.15 35.25 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.425 0 CA-C-O 121.137 0.494 . . . . 0.0 111.333 -179.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -54.4 83.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.694 -179.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.835 ' CD2' HD23 ' C' ' 11' ' ' LEU . 46.1 m0 -73.73 -62.16 1.59 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.259 0.552 . . . . 0.0 109.727 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.489 ' O ' ' HA ' ' C' ' 12' ' ' SER . 25.2 t-20 -178.64 -84.82 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.395 179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.459 ' H ' HG23 ' A' ' 59' ' ' THR . 2.1 tmtm? -97.6 -50.68 4.4 Favored 'General case' 0 CA--C 1.532 0.28 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 1.027 HG23 HD22 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.78 -59.84 2.0 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.054 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 1.027 HD22 HG23 ' C' ' 10' ' ' ILE . 1.2 mm? -88.12 -11.85 45.79 Favored 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 122.07 -0.394 . . . . 0.0 110.5 179.652 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.489 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 39.8 t . . . . . 0 C--O 1.248 0.997 0 CA-C-O 118.143 -0.932 . . . . 0.0 111.193 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.392 0 CA-C-O 120.576 0.227 . . . . 0.0 111.287 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . 0.401 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 9.0 mpt_? -49.69 -71.73 0.06 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.863 0.363 . . . . 0.0 110.538 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -99.22 1.41 44.77 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.136 179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 1.003 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -79.04 -2.36 40.02 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.951 179.734 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 1.003 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 35.15 35.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.356 0 CA-C-O 121.182 0.515 . . . . 0.0 111.369 -179.609 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -54.46 83.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.389 -0.823 . . . . 0.0 111.718 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.841 ' CD2' HD23 ' D' ' 11' ' ' LEU . 46.0 m0 -73.69 -62.23 1.56 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.263 0.554 . . . . 0.0 109.757 179.065 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.485 ' O ' ' HA ' ' D' ' 12' ' ' SER . 25.3 t-20 -178.47 -84.78 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.396 -0.82 . . . . 0.0 110.416 179.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . 0.466 ' H ' HG23 ' B' ' 59' ' ' THR . 2.1 tmtm? -97.58 -50.71 4.39 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 112.43 0.53 . . . . 0.0 112.43 -179.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.997 HG23 HD22 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.79 -59.81 2.03 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 112.53 0.567 . . . . 0.0 112.53 -178.005 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.997 HD22 HG23 ' D' ' 10' ' ' ILE . 1.2 mm? -88.06 -11.86 45.95 Favored 'General case' 0 N--CA 1.453 -0.323 0 O-C-N 122.072 -0.393 . . . . 0.0 110.576 179.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 40.1 t . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.037 -0.982 . . . . 0.0 111.277 179.659 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 42.6 p . . . . . 0 N--CA 1.488 1.431 0 CA-C-O 120.756 0.313 . . . . 0.0 111.462 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.488 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 5.5 pt-20 -55.4 -37.35 67.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 121.114 0.483 . . . . 0.0 111.061 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.705 HD22 HD21 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -46.48 -41.49 14.1 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.517 -0.765 . . . . 0.0 111.318 -179.871 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.633 ' O ' HG23 ' A' ' 8' ' ' VAL . 3.7 pt-20 -84.13 -28.74 27.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.027 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.484 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 8.7 mtpt -71.52 -43.94 65.55 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.09 -48.46 73.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.19 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.565 ' SD ' HG13 ' B' ' 77' ' ' VAL . 7.7 mtm -59.32 -46.63 88.07 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.831 179.854 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.633 HG23 ' O ' ' A' ' 4' ' ' GLU . 24.8 t -78.12 -25.12 14.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.675 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -64.0 -38.37 90.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.482 0.658 . . . . 0.0 109.369 178.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.64 -66.5 0.54 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.192 -0.913 . . . . 0.0 110.027 178.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.565 ' CG2' ' HA ' ' A' ' 8' ' ' VAL . 0.0 OUTLIER -42.43 -38.57 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.453 -0.284 0 CA-C-N 115.498 -0.774 . . . . 0.0 111.048 179.642 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.416 ' N ' HG23 ' A' ' 11' ' ' ILE . 0.8 OUTLIER -53.6 -49.28 68.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.406 179.548 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.584 HG12 ' HG ' ' A' ' 35' ' ' LEU . 36.8 t -57.26 -41.27 77.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.517 179.673 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.698 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -77.79 -29.54 50.86 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.315 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.448 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.3 t60 -83.6 -15.87 47.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.105 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.94 -48.74 14.0 Favored 'General case' 0 N--CA 1.45 -0.448 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.841 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.4 m-85 -83.86 -55.02 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.677 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.26 117.36 3.99 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.839 0.352 . . . . 0.0 111.0 -179.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.71 -51.36 0.79 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.535 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -31.41 69.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.79 0.329 . . . . 0.0 110.912 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 24.9 mt-10 -148.41 99.69 3.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.78 -162.66 25.88 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.548 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -77.7 -7.72 56.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.562 0.22 . . . . 0.0 111.359 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt 70.53 59.82 0.22 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.903 0.382 . . . . 0.0 110.776 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 11.8 t-160 -178.18 -28.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.237 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.698 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.32 160.56 16.92 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.83 0.348 . . . . 0.0 110.113 -179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.703 HD23 ' O ' ' A' ' 68' ' ' CYS . 3.1 mm? -122.44 138.05 54.67 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.149 0.5 . . . . 0.0 110.103 179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 pttt -113.63 -177.6 3.17 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.436 -179.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.403 ' HB3' ' CE ' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -51.05 -41.27 59.78 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.591 -0.732 . . . . 0.0 110.908 179.763 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 83.2 p -63.97 -55.59 21.33 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.461 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.803 ' O ' HD22 ' A' ' 35' ' ' LEU . 5.1 mt-10 -68.55 -68.0 0.43 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.734 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -41.35 -69.3 0.14 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.921 -179.202 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.671 ' HG2' HG11 ' A' ' 53' ' ' VAL . 95.0 mttt -42.89 -43.68 4.19 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.894 0.378 . . . . 0.0 111.458 -179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 38' ' ' ASN . 0.0 OUTLIER -53.05 -54.67 32.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.713 -179.468 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.841 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.5 mm? -51.68 -35.36 42.24 Favored 'General case' 0 CA--C 1.514 -0.423 0 CA-C-O 120.936 0.398 . . . . 0.0 111.714 -179.353 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.792 ' HA ' HD12 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -58.92 -47.73 88.72 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.013 179.821 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -88.1 -8.6 55.24 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.489 178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.433 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 35.4 t30 -92.62 -25.07 18.46 Favored 'General case' 0 N--CA 1.456 -0.158 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.231 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.533 ' O ' HD23 ' A' ' 40' ' ' LEU . 8.7 pt-20 -151.04 53.21 0.86 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.072 0.767 . . . . 0.0 113.072 -179.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.792 HD12 ' HA ' ' A' ' 36' ' ' ILE . 96.3 mt -158.54 116.77 2.97 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.932 0.396 . . . . 0.0 110.854 178.407 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 62.0 p -145.68 92.47 2.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.008 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 46.6 p-80 -174.31 -49.33 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.029 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.37 84.92 0.64 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.775 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.576 HD11 ' CB ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -177.68 -40.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.655 -179.681 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.48 58.63 4.74 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.577 -179.804 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.64 ' O ' HG22 ' A' ' 47' ' ' ILE . 23.2 tt0 63.88 46.04 4.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.226 -179.322 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.715 ' HB ' HD12 ' A' ' 36' ' ' ILE . 0.7 OUTLIER 52.56 153.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.311 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.621 -179.601 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.761 ' HB2' HG11 ' A' ' 52' ' ' VAL . 1.6 mtmm -47.72 -27.84 2.17 Favored 'General case' 0 C--O 1.232 0.136 0 N-CA-C 112.212 0.449 . . . . 0.0 112.212 -178.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.562 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.5 OUTLIER 168.76 178.51 0.03 OUTLIER 'General case' 0 C--O 1.233 0.215 0 CA-C-O 121.519 0.676 . . . . 0.0 111.865 -179.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.427 ' HG2' ' HD3' ' A' ' 33' ' ' LYS . 4.0 mt-30 -74.14 -22.4 59.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.251 -0.886 . . . . 0.0 110.142 179.003 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -81.21 -38.27 27.3 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.546 -179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.948 ' O ' HG23 ' A' ' 56' ' ' VAL . 20.6 m -63.01 -42.22 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.741 0.305 . . . . 0.0 110.461 -179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.671 HG11 ' HG2' ' A' ' 33' ' ' LYS . 95.7 t -64.3 -47.05 91.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.342 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -54.31 -38.2 65.69 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.43 -0.581 . . . . 0.0 109.43 179.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.402 ' O ' ' OG1' ' A' ' 59' ' ' THR . 16.9 ttmt -78.98 -32.13 45.14 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 115.576 -0.738 . . . . 0.0 109.294 178.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.948 HG23 ' O ' ' A' ' 52' ' ' VAL . 43.1 t -56.64 -53.26 43.61 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.166 179.098 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.27 -30.95 71.98 Favored 'General case' 0 C--O 1.232 0.151 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 178.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.417 ' HA ' ' HB2' ' A' ' 61' ' ' ASP . 0.8 OUTLIER -68.41 -32.69 72.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.478 178.218 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.582 HG22 ' HB3' ' C' ' 8' ' ' ASN . 1.2 m -61.19 -26.0 67.41 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.521 -0.763 . . . . 0.0 110.487 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.728 HD13 ' HB2' ' A' ' 76' ' ' PHE . 0.3 OUTLIER -113.38 -9.73 13.34 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.741 -179.324 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.417 ' HB2' ' HA ' ' A' ' 58' ' ' GLU . 42.4 t0 -42.51 93.31 0.01 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.8 0.333 . . . . 0.0 111.603 -179.475 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' A' ' 60' ' ' LEU . 2.5 m-20 -99.3 -46.96 5.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.687 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -160.08 28.6 0.17 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.951 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.34 8.79 58.97 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.69 -0.766 . . . . 0.0 112.628 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 74.5 m-20 61.54 25.92 15.75 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.808 0.337 . . . . 0.0 110.971 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.52 -6.34 45.23 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.697 -0.763 . . . . 0.0 113.019 179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.432 ' CG ' ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -99.06 175.38 5.93 Favored 'General case' 0 N--CA 1.452 -0.326 0 CA-C-O 120.867 0.365 . . . . 0.0 110.643 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.703 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -115.37 85.11 2.21 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.448 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.698 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 2.0 p-10 -81.2 -165.43 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 178.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.513 ' HA ' ' HB2' ' A' ' 73' ' ' PHE . 8.2 t80 -70.57 -15.18 62.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.875 0.369 . . . . 0.0 110.774 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.667 ' HA ' HG23 ' B' ' 82' ' ' THR . 7.8 pt20 -76.07 -37.74 57.87 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.183 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.6 -25.67 35.54 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.472 179.041 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.698 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -54.97 -62.28 1.76 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.409 178.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.458 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 22.6 mmm -61.29 -50.84 71.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.387 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' HE2' ' A' ' 79' ' ' MET . . . -58.61 -20.03 43.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.975 179.519 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.728 ' HB2' HD13 ' A' ' 60' ' ' LEU . 14.4 t80 -85.32 -75.45 0.36 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.08 0.467 . . . . 0.0 111.033 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.592 HG13 ' SD ' ' B' ' 7' ' ' MET . 21.7 t -52.22 -23.5 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.485 -179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.458 ' HB3' ' O ' ' A' ' 74' ' ' MET . . . -85.26 -47.93 9.59 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.296 0.48 . . . . 0.0 112.296 -179.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.454 ' CE ' HD23 ' A' ' 60' ' ' LEU . 23.5 mtm -68.47 -50.54 51.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.435 0.636 . . . . 0.0 110.155 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.835 HG13 ' NE1' ' C' ' 7' ' ' TRP . 59.4 t -58.92 -40.62 80.77 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.013 179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.711 HG23 ' HB3' ' A' ' 85' ' ' HIS . 4.1 m -71.23 -57.18 4.73 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.029 -0.532 . . . . 0.0 111.477 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.671 HG23 ' HA ' ' B' ' 71' ' ' GLN . 58.9 m -48.36 -23.76 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.388 0.514 . . . . 0.0 112.388 -178.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.444 ' HB2' ' CB ' ' C' ' 6' ' ' ASP . . . -82.24 -71.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.802 0.334 . . . . 0.0 111.871 -179.531 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.0 p -87.44 -51.74 5.76 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.264 -0.426 . . . . 0.0 112.132 -178.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.711 ' HB3' HG23 ' A' ' 81' ' ' THR . 2.3 t60 -48.3 -24.53 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.95 0.405 . . . . 0.0 110.587 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.26 -64.36 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.359 179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.51 -28.06 5.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.538 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 51.0 m-85 -79.99 -17.57 52.52 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.702 179.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.429 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 35.7 mm-40 54.65 23.73 4.96 Favored 'General case' 0 N--CA 1.461 0.111 0 CA-C-O 120.696 0.284 . . . . 0.0 111.192 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 77.18 -55.86 0.54 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.013 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.25 1.096 0 CA-C-O 118.192 -0.909 . . . . 0.0 110.848 -179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 43.7 p . . . . . 0 N--CA 1.487 1.424 0 CA-C-O 120.679 0.276 . . . . 0.0 111.407 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.516 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 5.6 pt-20 -55.45 -37.3 67.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.174 0.511 . . . . 0.0 111.057 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.68 HD22 HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -46.51 -41.51 14.23 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.478 -0.783 . . . . 0.0 111.377 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.637 ' O ' HG23 ' B' ' 8' ' ' VAL . 3.7 pt-20 -84.16 -28.64 27.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 8.8 mtpt -71.63 -43.86 65.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.025 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.1 -48.45 73.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.206 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.592 ' SD ' HG13 ' A' ' 77' ' ' VAL . 7.6 mtm -59.3 -46.63 88.04 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.788 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.637 HG23 ' O ' ' B' ' 4' ' ' GLU . 25.3 t -78.18 -25.03 13.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.636 -179.486 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.488 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -64.11 -38.19 90.17 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.484 0.659 . . . . 0.0 109.401 178.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.9 mt -64.76 -66.49 0.54 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.024 178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.563 ' CG2' ' HA ' ' B' ' 8' ' ' VAL . 0.0 OUTLIER -42.46 -38.54 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.349 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.067 179.622 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.419 ' N ' HG23 ' B' ' 11' ' ' ILE . 0.8 OUTLIER -53.62 -49.4 67.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.317 179.561 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.592 HG12 ' HG ' ' B' ' 35' ' ' LEU . 37.2 t -57.09 -41.42 77.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.442 179.733 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.705 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -77.72 -29.52 51.27 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.335 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.442 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.3 t60 -83.52 -15.96 47.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.151 179.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -78.91 -48.74 14.04 Favored 'General case' 0 N--CA 1.45 -0.475 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.85 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.4 m-85 -83.82 -54.99 4.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.69 179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -57.33 117.34 4.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.855 0.36 . . . . 0.0 110.957 -179.734 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 137.78 -51.34 0.79 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.475 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.36 -31.35 69.13 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.791 0.329 . . . . 0.0 110.927 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 -148.41 99.64 3.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.931 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.72 -162.67 25.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.583 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 33.3 m-20 -77.69 -7.62 56.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.469 0.176 . . . . 0.0 111.381 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 18.6 ttpt 70.46 59.77 0.23 Allowed 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.941 0.401 . . . . 0.0 110.803 -179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.418 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 11.9 t-160 -178.16 -28.09 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.276 179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.671 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.35 160.57 16.92 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 -179.894 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.695 HD23 ' O ' ' B' ' 68' ' ' CYS . 3.1 mm? -122.49 138.0 54.7 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.042 0.448 . . . . 0.0 110.122 179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.408 ' HA ' ' HE2' ' B' ' 57' ' ' MET . 2.2 pttt -113.61 -177.57 3.17 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.426 -179.197 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.411 ' HB3' ' CE ' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -50.99 -41.41 59.6 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.821 179.761 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 83.1 p -63.99 -55.54 21.65 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.035 -0.529 . . . . 0.0 111.421 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.807 ' O ' HD22 ' B' ' 35' ' ' LEU . 5.1 mt-10 -68.54 -68.06 0.42 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.641 0.258 . . . . 0.0 111.665 -179.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 13.0 tp -41.32 -69.27 0.14 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.901 -179.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.67 ' CG ' HG11 ' B' ' 53' ' ' VAL . 95.0 mttt -43.02 -43.65 4.36 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.838 0.352 . . . . 0.0 111.434 -179.668 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -53.01 -54.65 32.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.739 -179.495 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.85 HD11 ' CD1' ' B' ' 17' ' ' TYR . 1.5 mm? -51.69 -35.38 42.54 Favored 'General case' 0 CA--C 1.517 -0.316 0 CA-C-O 120.888 0.375 . . . . 0.0 111.666 -179.326 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.825 ' HA ' HD12 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -58.97 -47.65 89.13 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 CA-C-N 116.035 -0.529 . . . . 0.0 109.992 179.833 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -88.05 -8.74 55.11 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.411 178.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' B' ' 34' ' ' GLU . 35.2 t30 -92.52 -25.23 18.48 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.206 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.533 ' O ' HD23 ' B' ' 40' ' ' LEU . 8.7 pt-20 -150.95 53.24 0.86 Allowed 'General case' 0 CA--C 1.532 0.276 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -179.35 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.825 HD12 ' HA ' ' B' ' 36' ' ' ILE . 96.7 mt -158.56 116.75 2.96 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 120.938 0.399 . . . . 0.0 110.803 178.412 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 61.3 p -145.63 92.61 2.25 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.976 179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 46.8 p-80 -174.43 -49.29 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.39 84.94 0.64 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.703 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.573 HD11 ' CB ' ' B' ' 40' ' ' LEU . 0.3 OUTLIER -177.71 -40.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.569 -179.687 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 47.56 58.59 4.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.512 -179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.643 ' O ' HG22 ' B' ' 47' ' ' ILE . 23.3 tt0 63.9 46.09 4.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.183 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.697 ' HB ' HD12 ' B' ' 36' ' ' ILE . 0.7 OUTLIER 52.58 153.11 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-N 115.678 -0.692 . . . . 0.0 111.67 -179.66 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.794 ' HB2' HG11 ' B' ' 52' ' ' VAL . 1.6 mtmm -47.92 -27.75 2.32 Favored 'General case' 0 C--O 1.231 0.103 0 N-CA-C 112.146 0.424 . . . . 0.0 112.146 -178.48 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.569 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.4 OUTLIER 168.79 178.47 0.03 OUTLIER 'General case' 0 C--O 1.233 0.194 0 CA-C-O 121.555 0.693 . . . . 0.0 111.764 -179.783 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . 0.437 ' HG2' ' HD3' ' B' ' 33' ' ' LYS . 4.0 mt-30 -74.04 -22.36 59.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.201 -0.909 . . . . 0.0 110.222 178.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pm0 -81.18 -38.27 27.34 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 115.824 -0.626 . . . . 0.0 111.563 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.951 ' O ' HG23 ' B' ' 56' ' ' VAL . 20.9 m -63.05 -42.23 95.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.756 0.313 . . . . 0.0 110.456 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.67 HG11 ' CG ' ' B' ' 33' ' ' LYS . 93.9 t -64.28 -47.03 91.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.07 -0.513 . . . . 0.0 111.354 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -54.36 -38.15 65.76 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.404 ' O ' ' OG1' ' B' ' 59' ' ' THR . 16.9 ttmt -79.04 -32.05 44.78 Favored 'General case' 0 N--CA 1.448 -0.547 0 CA-C-N 115.541 -0.754 . . . . 0.0 109.259 178.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.951 HG23 ' O ' ' B' ' 52' ' ' VAL . 42.9 t -56.73 -53.23 44.41 Favored 'Isoleucine or valine' 0 C--O 1.232 0.154 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.142 179.133 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.408 ' HE2' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -64.27 -30.95 71.98 Favored 'General case' 0 C--O 1.231 0.112 0 N-CA-C 109.206 -0.664 . . . . 0.0 109.206 178.743 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.419 ' HA ' ' HB2' ' B' ' 61' ' ' ASP . 0.8 OUTLIER -68.48 -32.73 72.93 Favored 'General case' 0 N--CA 1.454 -0.234 0 CA-C-N 115.618 -0.719 . . . . 0.0 109.47 178.319 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.588 HG22 ' HB3' ' D' ' 8' ' ' ASN . 1.2 m -61.19 -25.99 67.41 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.419 179.14 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.721 HD13 ' HB2' ' B' ' 76' ' ' PHE . 0.3 OUTLIER -113.32 -9.75 13.37 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.713 -179.336 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . 0.419 ' HB2' ' HA ' ' B' ' 58' ' ' GLU . 42.4 t0 -42.57 93.32 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.857 0.36 . . . . 0.0 111.675 -179.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.41 ' N ' ' O ' ' B' ' 60' ' ' LEU . 2.5 m-20 -99.28 -46.9 5.37 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.68 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -160.18 28.67 0.17 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.43 8.82 58.82 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.648 -0.787 . . . . 0.0 112.496 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 74.8 m-20 61.59 25.88 15.7 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.778 0.323 . . . . 0.0 110.968 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 104.5 -6.39 45.33 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.687 -0.768 . . . . 0.0 113.047 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.435 ' CG ' ' O ' ' B' ' 27' ' ' LEU . 0.0 OUTLIER -98.97 175.36 5.95 Favored 'General case' 0 N--CA 1.453 -0.3 0 CA-C-O 120.927 0.394 . . . . 0.0 110.614 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.695 ' O ' HD23 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -115.4 85.03 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.431 -179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.671 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 2.1 p-10 -81.08 -165.4 0.91 Allowed 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 109.473 -0.565 . . . . 0.0 109.473 178.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.509 ' HA ' ' HB2' ' B' ' 73' ' ' PHE . 8.2 t80 -70.52 -15.29 62.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.997 0.427 . . . . 0.0 110.843 179.578 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.671 ' HA ' HG23 ' A' ' 82' ' ' THR . 7.9 pt20 -76.07 -37.73 57.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.183 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.62 -25.66 35.48 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.529 -0.759 . . . . 0.0 109.493 179.02 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.705 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -54.94 -62.22 1.8 Allowed 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.119 -0.946 . . . . 0.0 110.463 178.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.451 ' O ' ' HB3' ' B' ' 78' ' ' ALA . 21.8 mmm -61.31 -50.87 71.24 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.454 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.62 -20.0 43.72 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.039 179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.721 ' HB2' HD13 ' B' ' 60' ' ' LEU . 14.4 t80 -85.34 -75.43 0.36 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.096 0.474 . . . . 0.0 111.06 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.565 HG13 ' SD ' ' A' ' 7' ' ' MET . 21.6 t -52.19 -23.43 4.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.511 -179.68 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' B' ' 74' ' ' MET . . . -85.38 -47.82 9.62 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 112.292 0.479 . . . . 0.0 112.292 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.446 ' CE ' HD23 ' B' ' 60' ' ' LEU . 23.5 mtm -68.57 -50.42 51.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.345 0.593 . . . . 0.0 110.086 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.833 HG13 ' NE1' ' D' ' 7' ' ' TRP . 59.3 t -59.04 -40.5 80.87 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-N 115.11 -0.95 . . . . 0.0 111.033 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.712 HG23 ' HB3' ' B' ' 85' ' ' HIS . 4.1 m -71.36 -57.14 4.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.453 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.667 HG23 ' HA ' ' A' ' 71' ' ' GLN . 59.4 m -48.39 -23.77 1.03 Allowed 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -178.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.436 ' HB2' ' CB ' ' D' ' 6' ' ' ASP . . . -82.21 -71.05 0.5 Allowed 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.794 0.331 . . . . 0.0 111.878 -179.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 6.9 p -87.39 -51.86 5.7 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.293 -0.412 . . . . 0.0 112.084 -178.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.712 ' HB3' HG23 ' B' ' 81' ' ' THR . 2.3 t60 -48.22 -24.55 1.2 Allowed 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.992 0.425 . . . . 0.0 110.632 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.25 -64.29 0.84 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.367 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -118.57 -27.99 5.78 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.505 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 50.6 m-85 -80.2 -17.34 52.62 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.672 179.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.423 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 35.5 mm-40 54.58 23.73 4.87 Favored 'General case' 0 CA--C 1.528 0.113 0 CA-C-O 120.627 0.251 . . . . 0.0 111.216 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 77.15 -55.88 0.54 Allowed 'General case' 0 N--CA 1.463 0.199 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.095 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.263 -0.875 . . . . 0.0 110.91 179.969 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.381 0 CA-C-O 120.746 0.308 . . . . 0.0 111.328 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.17 -71.24 0.11 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.927 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.57 -4.2 34.65 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.548 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.833 ' C ' HD13 ' C' ' 5' ' ' ILE . 1.3 tmtt? -80.23 -1.83 42.31 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.638 -0.255 . . . . 0.0 110.977 179.569 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.833 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 47.35 11.96 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.472 0 N-CA-C 112.864 0.691 . . . . 0.0 112.864 -179.458 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.444 ' CB ' ' HB2' ' A' ' 83' ' ' ALA . 23.7 t0 37.66 28.86 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.315 0 N-CA-C 113.881 1.067 . . . . 0.0 113.881 178.428 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.835 ' NE1' HG13 ' A' ' 80' ' ' VAL . 10.3 m95 -70.97 -67.99 0.47 Allowed 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 109.132 -0.692 . . . . 0.0 109.132 178.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.582 ' HB3' HG22 ' A' ' 59' ' ' THR . 35.1 t30 148.28 -97.52 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.599 0 C-N-CA 123.598 0.759 . . . . 0.0 110.991 178.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.05 -44.72 6.53 Favored 'General case' 0 CA--C 1.533 0.295 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.689 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.773 HG23 HD12 ' C' ' 11' ' ' LEU . 0.1 OUTLIER -54.2 -58.51 3.51 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.258 0 N-CA-C 112.619 0.6 . . . . 0.0 112.619 -177.798 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.773 HD12 HG23 ' C' ' 10' ' ' ILE . 2.0 mp -93.82 -18.73 21.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.004 0.43 . . . . 0.0 110.323 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.566 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 13.0 p . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.991 179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.373 0 CA-C-O 120.817 0.341 . . . . 0.0 111.317 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 5.2 ttm180 -58.29 -71.16 0.12 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.951 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -98.54 -4.2 34.74 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.575 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.827 ' C ' HD13 ' D' ' 5' ' ' ILE . 1.3 tmtt? -80.16 -1.96 42.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.635 -0.257 . . . . 0.0 110.966 179.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.827 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 47.34 12.02 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 N-CA-C 112.802 0.667 . . . . 0.0 112.802 -179.438 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.436 ' CB ' ' HB2' ' B' ' 83' ' ' ALA . 23.8 t0 37.66 28.84 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.345 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 178.359 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.833 ' NE1' HG13 ' B' ' 80' ' ' VAL . 10.3 m95 -71.03 -67.91 0.47 Allowed 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 178.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.588 ' HB3' HG22 ' B' ' 59' ' ' THR . 35.0 t30 148.32 -97.53 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 123.638 0.775 . . . . 0.0 111.005 178.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.93 -44.76 6.55 Favored 'General case' 0 CA--C 1.533 0.299 0 N-CA-C 113.283 0.846 . . . . 0.0 113.283 -178.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.761 HG23 HD12 ' D' ' 11' ' ' LEU . 0.1 OUTLIER -54.22 -58.44 3.69 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.265 0 N-CA-C 112.624 0.602 . . . . 0.0 112.624 -177.724 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.761 HD12 HG23 ' D' ' 10' ' ' ILE . 2.0 mp -93.83 -18.69 21.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.954 0.407 . . . . 0.0 110.351 179.583 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.564 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 12.8 p . . . . . 0 C--O 1.249 1.028 0 CA-C-O 118.261 -0.876 . . . . 0.0 110.997 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.339 0 CA-C-O 120.857 0.361 . . . . 0.0 111.167 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.84 -29.44 70.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.144 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.4 -50.59 70.95 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.66 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.658 ' O ' HG23 ' A' ' 8' ' ' VAL . 6.6 tt0 -60.45 -46.15 91.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.669 179.769 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.67 -56.6 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.677 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.641 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -58.05 -46.29 85.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.168 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.514 ' HE3' HG13 ' B' ' 77' ' ' VAL . 6.5 mtt -56.52 -51.09 69.83 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.658 HG23 ' O ' ' A' ' 4' ' ' GLU . 24.0 t -73.86 -26.3 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.445 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.714 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -63.36 -37.86 88.91 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.427 0.632 . . . . 0.0 109.602 179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.427 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 4.7 mt -73.41 -49.51 26.65 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.15 -0.932 . . . . 0.0 110.118 179.096 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.536 HD12 ' HA ' ' A' ' 8' ' ' VAL . 17.9 mt -58.69 -50.24 79.87 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.649 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.893 179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.39 -51.51 14.78 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.576 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 9' ' ' ALA . 20.9 t -50.79 -52.22 17.61 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-O 120.877 0.37 . . . . 0.0 111.762 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -74.27 -31.37 62.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.837 -179.728 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.407 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.2 t-80 -64.83 -19.85 66.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.762 179.727 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -52.4 6.34 Favored 'General case' 0 N--CA 1.451 -0.381 0 CA-C-O 120.961 0.41 . . . . 0.0 109.985 179.51 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.714 ' CD1' HD11 ' A' ' 35' ' ' LEU . 7.7 m-85 -83.89 -71.59 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.04 179.529 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.609 ' HB2' HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -45.89 137.85 5.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.138 -179.68 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.452 ' HA3' ' CB ' ' A' ' 24' ' ' LYS . . . -38.32 136.03 1.05 Allowed Glycine 0 CA--C 1.519 0.306 0 CA-C-N 115.809 -0.632 . . . . 0.0 113.213 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.37 -46.91 5.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.737 0.303 . . . . 0.0 111.163 -179.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.57 155.69 31.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 111.037 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.52 -169.88 54.0 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.586 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 43.2 m-20 -54.45 -24.68 21.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.832 0.348 . . . . 0.0 110.995 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.452 ' CB ' ' HA3' ' A' ' 19' ' ' GLY . 10.6 tttp -52.86 95.33 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.052 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -151.97 67.81 0.87 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.558 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.646 ' CE ' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -174.14 173.73 3.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.135 -179.722 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.767 HD23 ' HB3' ' A' ' 31' ' ' GLU . 2.0 mp -136.74 136.95 39.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.813 0.34 . . . . 0.0 110.493 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.522 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 2.7 mtmt -101.2 179.05 4.48 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.928 -178.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.436 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 12.0 mttt -53.14 -28.61 26.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.485 -0.78 . . . . 0.0 110.865 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 11.4 m -80.79 -38.6 28.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.794 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.767 ' HB3' HD23 ' A' ' 27' ' ' LEU . 4.7 mt-10 -70.23 -63.87 1.0 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.966 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.462 HD11 HD13 ' A' ' 60' ' ' LEU . 3.5 tt -49.77 -55.89 12.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.129 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.838 ' CE ' HG12 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -45.49 -42.66 10.91 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.55 179.892 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.481 ' O ' ' N ' ' A' ' 38' ' ' ASN . 2.4 mm-40 -57.98 -68.42 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.495 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.714 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.3 mm? -40.34 -32.79 0.2 Allowed 'General case' 0 N--CA 1.47 0.554 0 CA-C-O 121.01 0.433 . . . . 0.0 111.869 -179.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.819 HG23 HD12 ' A' ' 40' ' ' LEU . 1.3 mt -56.57 -67.2 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.88 0 CA-C-N 115.736 -0.665 . . . . 0.0 109.438 179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -79.21 -8.21 58.85 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.407 178.486 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.539 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 4.5 t30 -76.74 -43.84 35.59 Favored 'General case' 0 CA--C 1.52 -0.18 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.706 179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.413 ' OE2' HG22 ' A' ' 13' ' ' VAL . 6.3 pt-20 -167.57 60.55 0.08 Allowed 'General case' 0 CA--C 1.53 0.174 0 N-CA-C 113.394 0.887 . . . . 0.0 113.394 -179.728 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.819 HD12 HG23 ' A' ' 36' ' ' ILE . 8.5 mt -107.66 -76.86 0.6 Allowed 'General case' 0 N--CA 1.464 0.226 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.683 178.258 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.45 109.25 1.1 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.644 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 11.2 t60 70.83 -63.65 0.41 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.86 -179.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.722 ' HB3' HD12 ' A' ' 44' ' ' LEU . 0.5 OUTLIER -176.98 -38.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.0 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.852 HD23 ' O ' ' A' ' 47' ' ' ILE . 6.8 mp -114.53 -87.19 0.58 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.906 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 66.66 -68.93 0.13 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.792 0.329 . . . . 0.0 111.285 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' N ' ' O ' ' A' ' 44' ' ' LEU . 0.1 OUTLIER -89.7 6.98 39.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.391 -179.879 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.896 ' CG2' HG22 ' A' ' 53' ' ' VAL . 9.7 pt -140.17 83.0 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-O 120.896 0.379 . . . . 0.0 110.856 179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.94 -21.64 31.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.432 -179.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.809 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -160.53 -179.38 7.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.363 -0.381 . . . . 0.0 110.699 -179.89 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.28 -38.03 51.68 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.014 0.435 . . . . 0.0 110.592 179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.76 95.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.226 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.885 ' O ' HG23 ' A' ' 56' ' ' VAL . 4.2 m -63.13 -42.07 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.623 -0.262 . . . . 0.0 111.23 -179.789 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.896 HG22 ' CG2' ' A' ' 47' ' ' ILE . 5.3 t -51.03 -59.16 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.192 0 CA-C-O 120.687 0.28 . . . . 0.0 111.32 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.29 -43.78 22.74 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.917 0.389 . . . . 0.0 110.381 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -71.38 -34.45 70.44 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.974 -0.557 . . . . 0.0 109.556 178.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 52' ' ' VAL . 82.2 t -57.31 -57.81 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.089 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.342 179.34 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.414 ' HB2' HD13 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -58.23 -33.57 69.48 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 178.709 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.74 -34.27 75.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.406 -0.816 . . . . 0.0 110.429 179.31 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.742 HG23 ' H ' ' C' ' 9' ' ' LYS . 2.7 m -68.61 -14.08 62.78 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.913 179.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.558 HD21 ' HB2' ' A' ' 76' ' ' PHE . 0.2 OUTLIER -85.57 -14.26 46.33 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.443 -179.887 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.24 92.74 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.862 0.363 . . . . 0.0 111.363 -179.749 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -113.12 -31.21 6.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.696 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -178.7 43.27 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.412 ' HA2' ' NZ ' ' A' ' 26' ' ' LYS . . . -116.57 5.72 18.86 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.544 -0.836 . . . . 0.0 112.641 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.44 25.51 15.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.956 0.408 . . . . 0.0 110.528 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.22 -33.54 3.98 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.827 -0.702 . . . . 0.0 112.485 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.522 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.5 OUTLIER -97.05 177.84 5.46 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-O 120.872 0.368 . . . . 0.0 110.208 179.757 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.654 ' O ' HD12 ' A' ' 27' ' ' LEU . 5.4 m -134.32 115.5 14.16 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.286 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.646 ' HB3' ' CE ' ' A' ' 26' ' ' LYS . 16.5 p-10 -88.47 -153.72 0.26 Allowed 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.453 -0.499 . . . . 0.0 110.144 179.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.623 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 1.0 OUTLIER -74.05 -31.62 62.96 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.678 0.275 . . . . 0.0 111.252 -179.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.413 ' HG2' ' OD2' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -70.19 -29.16 65.95 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.517 -0.31 . . . . 0.0 111.779 -179.257 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.483 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 6.0 mm-40 -76.62 -50.99 12.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.607 -0.269 . . . . 0.0 111.391 -179.578 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.623 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -64.36 -39.32 93.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.806 -179.74 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.631 ' CE ' HG21 ' B' ' 81' ' ' THR . 63.6 mmm -62.04 -35.21 77.91 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 121.123 0.487 . . . . 0.0 110.024 179.257 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.481 ' O ' ' HG2' ' A' ' 79' ' ' MET . . . -71.41 -32.19 68.12 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.691 -0.686 . . . . 0.0 109.56 178.662 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.775 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 75.8 t80 -65.79 -71.28 0.2 Allowed 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.459 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.466 HG13 ' CE ' ' B' ' 7' ' ' MET . 22.9 t -46.74 -29.45 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.14 0 CA-C-O 121.06 0.457 . . . . 0.0 110.533 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.588 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.67 -38.77 17.98 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.633 -0.712 . . . . 0.0 112.108 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.775 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 1.4 ptt? -78.14 -41.94 33.37 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.181 0.515 . . . . 0.0 110.699 -179.478 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.744 HG13 ' NE1' ' C' ' 7' ' ' TRP . 49.1 t -64.53 -44.26 96.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.923 179.876 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.613 HG21 ' CE ' ' B' ' 74' ' ' MET . 10.1 t -69.4 -41.0 77.01 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.134 179.599 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.588 HG23 ' O ' ' A' ' 78' ' ' ALA . 1.8 p -55.3 -32.26 62.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.273 -0.421 . . . . 0.0 112.05 -179.228 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.746 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -77.14 -62.33 1.69 Allowed 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 112.165 0.431 . . . . 0.0 112.165 -179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.451 ' HB3' HG23 ' C' ' 5' ' ' ILE . 14.5 p -87.08 -49.37 7.36 Favored 'General case' 0 N--CA 1.464 0.229 0 N-CA-C 112.865 0.691 . . . . 0.0 112.865 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.436 ' CD2' ' HA ' ' A' ' 89' ' ' GLU . 0.6 OUTLIER -50.56 -22.69 2.09 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.824 0.345 . . . . 0.0 110.785 -179.84 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.408 ' HB2' ' O ' ' A' ' 82' ' ' THR . 14.5 tt0 -46.06 -63.71 0.92 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.017 179.513 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -30.6 6.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.492 179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -73.34 -26.2 60.93 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.434 179.314 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.436 ' HA ' ' CD2' ' A' ' 85' ' ' HIS . 10.5 pt-20 42.22 67.06 0.63 Allowed 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.509 179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -124.25 -76.42 0.59 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.843 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.877 179.948 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.342 0 CA-C-O 120.854 0.359 . . . . 0.0 111.216 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -63.68 -29.48 70.7 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.159 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.41 ' HG ' ' CD2' ' A' ' 40' ' ' LEU . 0.2 OUTLIER -62.42 -50.52 71.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.666 179.867 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . 0.645 ' O ' HG23 ' B' ' 8' ' ' VAL . 6.6 tt0 -60.41 -46.21 90.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.662 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.72 -56.62 17.68 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.687 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.639 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -57.98 -46.32 85.37 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.466 ' CE ' HG13 ' A' ' 77' ' ' VAL . 6.5 mtt -56.54 -51.08 69.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.904 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.645 HG23 ' O ' ' B' ' 4' ' ' GLU . 23.9 t -73.96 -26.11 20.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.475 -179.822 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.69 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -63.38 -38.0 89.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.393 0.616 . . . . 0.0 109.558 179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.425 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 4.8 mt -73.36 -49.56 26.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.115 -0.948 . . . . 0.0 110.129 179.172 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.549 HD12 ' HA ' ' B' ' 8' ' ' VAL . 17.8 mt -58.65 -50.08 80.35 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.711 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.97 179.689 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -46.58 -51.49 15.52 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.52 -179.876 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.69 HG23 ' O ' ' B' ' 9' ' ' ALA . 21.1 t -50.89 -52.17 18.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.821 0.343 . . . . 0.0 111.673 -179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.514 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -74.29 -31.32 62.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.841 -179.713 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.404 ' HB2' ' O ' ' B' ' 11' ' ' ILE . 1.2 t-80 -64.86 -19.87 66.12 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 179.71 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.99 -52.42 6.33 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 121.012 0.434 . . . . 0.0 109.977 179.522 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.714 ' CD1' HD11 ' B' ' 35' ' ' LEU . 7.7 m-85 -83.9 -71.66 0.5 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.058 179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.602 ' HB2' HD11 ' B' ' 27' ' ' LEU . 0.5 OUTLIER -45.79 137.88 5.17 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.154 -179.717 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.451 ' HA3' ' CB ' ' B' ' 24' ' ' LYS . . . -38.3 135.99 1.05 Allowed Glycine 0 CA--C 1.518 0.241 0 CA-C-N 115.83 -0.623 . . . . 0.0 113.287 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -98.32 -46.93 5.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.693 0.282 . . . . 0.0 111.204 -179.76 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -119.56 155.66 31.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.071 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 74.6 -169.8 54.11 Favored Glycine 0 C--N 1.331 0.255 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.545 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 -54.48 -24.72 21.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.848 0.356 . . . . 0.0 110.965 179.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.451 ' CB ' ' HA3' ' B' ' 19' ' ' GLY . 10.6 tttp -52.93 95.44 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.988 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 -151.98 67.9 0.87 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.522 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.639 ' CE ' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -174.2 173.73 3.03 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.034 -179.726 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.777 HD23 ' HB3' ' B' ' 31' ' ' GLU . 2.0 mp -136.71 137.07 39.56 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.819 0.343 . . . . 0.0 110.475 179.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.54 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 2.8 mtmt -101.38 179.06 4.47 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.861 -178.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.435 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 12.0 mttt -53.1 -28.62 26.33 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.917 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 11.2 m -80.68 -38.78 28.36 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.777 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.777 ' HB3' HD23 ' B' ' 27' ' ' LEU . 4.8 mt-10 -70.21 -63.86 1.0 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.45 HD11 HD13 ' B' ' 60' ' ' LEU . 3.5 tt -49.7 -55.9 12.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.197 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.832 ' CE ' HG12 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -45.45 -42.81 10.88 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.476 179.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 2.4 mm-40 -57.8 -68.41 0.25 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.517 -179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.715 ' H ' HD22 ' B' ' 35' ' ' LEU . 1.3 mm? -40.51 -32.69 0.21 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 120.955 0.407 . . . . 0.0 111.769 -179.156 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.804 HG23 HD12 ' B' ' 40' ' ' LEU . 1.3 mt -56.68 -67.13 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.864 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.4 179.103 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 15.8 m-80 -79.17 -8.25 58.85 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.472 178.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.555 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 4.5 t30 -76.81 -43.76 35.32 Favored 'General case' 0 CA--C 1.52 -0.174 0 CA-C-N 116.484 -0.326 . . . . 0.0 110.673 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.42 ' OE2' HG22 ' B' ' 13' ' ' VAL . 6.2 pt-20 -167.57 60.5 0.08 Allowed 'General case' 0 CA--C 1.53 0.176 0 N-CA-C 113.401 0.889 . . . . 0.0 113.401 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.804 HD12 HG23 ' B' ' 36' ' ' ILE . 8.5 mt -107.69 -76.83 0.61 Allowed 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.712 178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -163.42 109.24 1.11 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.62 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 11.4 t60 70.88 -63.62 0.41 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.802 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.707 ' HB3' HD12 ' B' ' 44' ' ' LEU . 0.5 OUTLIER -177.08 -38.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.988 179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.864 HD23 ' O ' ' B' ' 47' ' ' ILE . 6.8 mp -114.58 -87.1 0.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.918 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 66.59 -68.97 0.13 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-O 120.717 0.294 . . . . 0.0 111.218 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.404 ' N ' ' O ' ' B' ' 44' ' ' LEU . 0.1 OUTLIER -89.64 6.89 39.29 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.384 -179.849 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.895 ' CG2' HG22 ' B' ' 53' ' ' VAL . 9.7 pt -140.09 83.02 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.902 0.382 . . . . 0.0 110.915 179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.92 -21.69 31.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.37 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.794 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -160.56 -179.51 7.71 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.709 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -77.24 -38.01 51.98 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.964 0.412 . . . . 0.0 110.586 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.6 -42.77 95.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.278 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.897 ' O ' HG23 ' B' ' 56' ' ' VAL . 4.2 m -63.19 -42.05 95.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.218 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.895 HG22 ' CG2' ' B' ' 47' ' ' ILE . 5.2 t -50.96 -59.28 1.28 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.176 0 CA-C-O 120.689 0.28 . . . . 0.0 111.329 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -47.26 -43.83 22.41 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-O 120.908 0.385 . . . . 0.0 110.331 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 ttmt -71.36 -34.35 70.39 Favored 'General case' 0 N--CA 1.451 -0.424 0 CA-C-N 116.005 -0.543 . . . . 0.0 109.619 178.689 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.897 HG23 ' O ' ' B' ' 52' ' ' VAL . 82.5 t -57.3 -57.85 8.39 Favored 'Isoleucine or valine' 0 C--N 1.334 -0.107 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.339 179.307 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.41 ' HB2' HD13 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -58.22 -33.48 69.36 Favored 'General case' 0 C--O 1.232 0.138 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.732 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -68.83 -34.27 75.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.428 -0.806 . . . . 0.0 110.368 179.314 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.729 HG23 ' H ' ' D' ' 9' ' ' LYS . 2.7 m -68.64 -13.94 62.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.972 179.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.566 HD21 ' HB2' ' B' ' 76' ' ' PHE . 0.2 OUTLIER -85.61 -14.34 45.96 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.323 -0.398 . . . . 0.0 111.475 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.16 92.81 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.835 0.35 . . . . 0.0 111.377 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -113.24 -31.02 6.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.736 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 10.9 t0 -178.83 43.18 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.418 ' HA2' ' NZ ' ' B' ' 26' ' ' LYS . . . -116.54 5.66 18.96 Favored Glycine 0 N--CA 1.45 -0.398 0 C-N-CA 120.573 -0.822 . . . . 0.0 112.643 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 61.48 25.53 15.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 110.52 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 123.11 -33.44 4.03 Favored Glycine 0 N--CA 1.449 -0.479 0 C-N-CA 120.854 -0.689 . . . . 0.0 112.506 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.54 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.5 OUTLIER -97.03 177.84 5.47 Favored 'General case' 0 N--CA 1.447 -0.59 0 CA-C-O 120.836 0.35 . . . . 0.0 110.265 179.683 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.65 ' O ' HD12 ' B' ' 27' ' ' LEU . 5.5 m -134.33 115.5 14.15 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.25 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.639 ' HB3' ' CE ' ' B' ' 26' ' ' LYS . 16.4 p-10 -88.46 -153.88 0.26 Allowed 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.599 -0.44 . . . . 0.0 110.142 179.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.624 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 1.0 OUTLIER -73.88 -31.77 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.671 0.272 . . . . 0.0 111.292 -179.808 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.407 ' HG2' ' OD2' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -70.14 -29.11 65.95 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.801 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.463 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 6.0 mm-40 -76.6 -51.05 12.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.726 0.298 . . . . 0.0 111.401 -179.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.624 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -64.33 -39.28 93.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.854 -179.742 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.613 ' CE ' HG21 ' A' ' 81' ' ' THR . 63.5 mmm -62.06 -35.3 78.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.016 0.436 . . . . 0.0 109.888 179.284 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -71.35 -32.22 68.29 Favored 'General case' 0 N--CA 1.449 -0.493 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.598 178.644 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.773 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 75.9 t80 -65.84 -71.23 0.2 Allowed 'General case' 0 CA--C 1.518 -0.28 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.436 179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.514 HG13 ' HE3' ' A' ' 7' ' ' MET . 22.6 t -46.65 -29.59 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 121.086 0.469 . . . . 0.0 110.616 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.587 ' O ' HG23 ' B' ' 82' ' ' THR . . . -85.51 -38.94 17.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.545 -0.752 . . . . 0.0 112.133 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.773 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 1.4 ptt? -77.98 -42.04 34.08 Favored 'General case' 0 C--O 1.234 0.264 0 CA-C-O 121.178 0.513 . . . . 0.0 110.691 -179.499 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.745 HG13 ' NE1' ' D' ' 7' ' ' TRP . 49.1 t -64.49 -44.33 96.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.902 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.631 HG21 ' CE ' ' A' ' 74' ' ' MET . 10.1 t -69.29 -41.0 77.39 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.177 179.59 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.587 HG23 ' O ' ' B' ' 78' ' ' ALA . 1.8 p -55.32 -32.28 62.36 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.253 -0.43 . . . . 0.0 112.073 -179.204 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.765 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -77.1 -62.27 1.71 Allowed 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -179.202 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.437 ' HB3' HG23 ' D' ' 5' ' ' ILE . 14.6 p -87.17 -49.22 7.44 Favored 'General case' 0 N--CA 1.464 0.252 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -178.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.437 ' CD2' ' HA ' ' B' ' 89' ' ' GLU . 0.6 OUTLIER -50.63 -22.64 2.12 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.874 0.369 . . . . 0.0 110.821 -179.772 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.404 ' HB2' ' O ' ' B' ' 82' ' ' THR . 14.4 tt0 -45.92 -63.78 0.89 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.1 179.38 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -115.01 -30.77 6.27 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.36 179.721 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 71.3 m-85 -73.19 -26.23 61.09 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.51 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.437 ' HA ' ' CD2' ' B' ' 85' ' ' HIS . 10.5 pt-20 42.13 67.15 0.62 Allowed 'General case' 0 N--CA 1.463 0.223 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.534 179.654 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -124.23 -76.5 0.59 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.839 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 . . . . . 0 C--O 1.249 1.071 0 CA-C-O 118.24 -0.886 . . . . 0.0 110.9 179.946 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . 0.438 HG22 ' HB2' ' A' ' 83' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.754 0.312 . . . . 0.0 111.222 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -99.13 -69.1 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.618 179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -98.25 1.55 47.35 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.344 179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.714 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -90.41 -7.96 51.81 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 111.38 -179.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.996 HD11 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER 48.82 12.6 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.453 0 N-CA-C 112.847 0.684 . . . . 0.0 112.847 -179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.746 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 30.0 t0 45.8 41.63 7.85 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 177.561 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.744 ' NE1' HG13 ' A' ' 80' ' ' VAL . 11.5 m95 -78.63 -69.08 0.59 Allowed 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.582 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.629 ' HB2' HG22 ' A' ' 59' ' ' THR . 0.9 OUTLIER 156.14 -88.1 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 115.234 -0.894 . . . . 0.0 110.671 178.794 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.742 ' H ' HG23 ' A' ' 59' ' ' THR . 1.3 tmtt? -97.56 -52.1 3.89 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 112.822 0.675 . . . . 0.0 112.822 -179.264 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.707 HG23 HD23 ' C' ' 11' ' ' LEU . 0.1 OUTLIER -54.09 -54.4 21.01 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.534 0.568 . . . . 0.0 112.534 -177.855 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.996 HD12 HD11 ' C' ' 5' ' ' ILE . 2.6 mm? -87.5 -23.97 24.24 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.071 0.462 . . . . 0.0 110.057 179.713 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 19.9 p . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.292 -0.861 . . . . 0.0 111.194 179.616 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . 0.436 HG22 ' HB2' ' B' ' 83' ' ' ALA . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.404 0 CA-C-O 120.887 0.375 . . . . 0.0 111.246 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 66.4 mtt85 -99.03 -69.1 0.77 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.614 179.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 1.9 t -98.34 1.55 47.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.958 -0.565 . . . . 0.0 111.305 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.693 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -90.47 -7.81 52.07 Favored 'General case' 0 CA--C 1.532 0.276 0 CA-C-O 120.903 0.382 . . . . 0.0 111.416 -179.882 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.979 HD11 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER 48.76 12.61 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.413 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -179.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.765 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 29.9 t0 45.8 41.6 7.82 Favored 'General case' 0 C--N 1.322 -0.596 0 N-CA-C 114.511 1.301 . . . . 0.0 114.511 177.602 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.745 ' NE1' HG13 ' B' ' 80' ' ' VAL . 11.5 m95 -78.63 -69.07 0.59 Allowed 'General case' 0 N--CA 1.463 0.195 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 177.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.632 ' HB2' HG22 ' B' ' 59' ' ' THR . 0.9 OUTLIER 156.13 -88.08 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 115.274 -0.875 . . . . 0.0 110.628 178.777 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . 0.729 ' H ' HG23 ' B' ' 59' ' ' THR . 1.2 tmtt? -97.64 -51.97 3.93 Favored 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 -179.238 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.697 HG23 HD23 ' D' ' 11' ' ' LEU . 0.1 OUTLIER -54.19 -54.36 21.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.243 0 N-CA-C 112.537 0.569 . . . . 0.0 112.537 -177.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.979 HD12 HD11 ' D' ' 5' ' ' ILE . 2.6 mm? -87.57 -23.91 24.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.042 0.449 . . . . 0.0 109.988 179.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.451 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 20.3 p . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.238 -0.887 . . . . 0.0 111.178 179.531 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 120.863 0.363 . . . . 0.0 111.293 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.419 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 4.4 mt-10 -69.15 -14.06 62.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.356 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.546 HD13 HD11 ' B' ' 40' ' ' LEU . 3.9 mt -82.26 -25.6 33.92 Favored 'General case' 0 C--N 1.33 -0.246 0 N-CA-C 111.612 0.227 . . . . 0.0 111.612 -179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -84.01 -43.03 15.57 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.567 0.222 . . . . 0.0 111.344 -179.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -72.96 -49.45 29.14 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.87 0.367 . . . . 0.0 111.031 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.479 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -57.83 -50.83 71.95 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.299 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.548 ' O ' HG12 ' A' ' 11' ' ' ILE . 23.2 ttm -48.33 -63.1 1.17 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.071 -179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.485 ' HA ' ' CG1' ' A' ' 11' ' ' ILE . 19.4 t -69.27 -22.69 26.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.025 -179.661 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -60.29 -41.68 93.9 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.325 0.583 . . . . 0.0 109.933 179.405 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.567 HD11 ' CE ' ' A' ' 74' ' ' MET . 1.1 pp -71.06 -37.29 72.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.628 -0.715 . . . . 0.0 109.723 179.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.759 HD12 ' CE1' ' A' ' 70' ' ' PHE . 2.6 mm -64.72 -43.6 96.55 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.532 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 178.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.44 -40.61 18.47 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-N 115.982 -0.554 . . . . 0.0 109.529 178.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.943 HG12 HD11 ' A' ' 35' ' ' LEU . 39.4 t -58.05 -47.49 86.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 115.571 -0.74 . . . . 0.0 110.464 178.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.518 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -71.01 -26.92 63.33 Favored 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.617 179.464 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -81.4 -20.4 40.54 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.394 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 12.0 mt-30 -81.72 -38.28 26.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.97 0.414 . . . . 0.0 110.497 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.438 ' CD1' ' HG ' ' A' ' 35' ' ' LEU . 1.8 m-85 -83.02 -55.13 4.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.109 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -62.68 -48.82 77.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.218 -179.695 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.88 -29.3 50.45 Favored Glycine 0 C--N 1.33 0.25 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.755 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.72 -30.79 70.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -73.72 -74.27 0.19 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.912 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.56 -49.86 0.11 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.456 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -61.59 -39.1 89.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 110.873 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.97 32.3 21.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.965 179.811 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.449 ' HA ' ' CZ ' ' A' ' 14' ' ' PHE . 9.8 t-160 -167.32 47.03 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.045 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.702 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -175.88 147.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.927 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.702 HD13 ' O ' ' A' ' 26' ' ' LYS . 2.1 mm? -135.04 139.16 44.57 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 109.768 -0.456 . . . . 0.0 109.768 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -115.99 -178.19 3.34 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.111 0.482 . . . . 0.0 111.807 -179.204 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -59.44 -19.05 44.49 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.858 179.698 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 44.3 m -83.46 -54.53 4.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.804 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.0 mp0 -78.33 -55.08 5.53 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.357 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' C ' HD13 ' A' ' 32' ' ' LEU . 2.5 tm? -46.75 -61.04 2.02 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.591 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 29' ' ' LYS . 5.2 mptt -54.98 -58.95 5.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.35 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.16 -41.48 65.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.573 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.943 HD11 HG12 ' A' ' 13' ' ' VAL . 0.3 OUTLIER -59.08 -50.89 72.32 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.16 0.505 . . . . 0.0 111.101 -179.835 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.886 HG21 HG13 ' A' ' 47' ' ' ILE . 2.2 mt -56.0 -41.81 69.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.59 179.747 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.66 -13.44 59.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.451 179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -94.48 -33.17 13.19 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.975 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.02 -37.53 5.8 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.525 -179.432 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.804 HD12 ' HA ' ' A' ' 36' ' ' ILE . 1.4 mp -103.51 30.39 5.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.779 0.323 . . . . 0.0 111.003 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 p -61.33 -29.87 70.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.796 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.5 t-80 -60.37 -47.69 84.96 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.988 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 51.2 p90 -154.46 140.04 17.9 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.992 0.425 . . . . 0.0 111.318 -179.792 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.5 HD22 ' HB ' ' A' ' 47' ' ' ILE . 0.5 OUTLIER -111.63 82.65 1.65 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.366 179.563 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -54.7 -25.04 24.79 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.724 -179.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.763 ' O ' HD13 ' A' ' 47' ' ' ILE . 1.7 pm0 -143.12 17.19 1.92 Allowed 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 111.84 0.311 . . . . 0.0 111.84 -179.676 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.886 HG13 HG21 ' A' ' 36' ' ' ILE . 1.8 mm -137.51 49.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 121.246 0.546 . . . . 0.0 111.013 -179.812 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.95 -68.87 0.14 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.643 -179.546 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.603 ' O ' HG22 ' A' ' 52' ' ' VAL . 28.8 mt-10 -108.64 -176.11 2.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.136 0.493 . . . . 0.0 111.631 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.2 -41.32 49.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.094 179.363 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.79 -42.58 97.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.105 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.603 HG22 ' O ' ' A' ' 49' ' ' GLU . 8.9 m -62.13 -42.7 96.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 C-N-CA 120.998 -0.281 . . . . 0.0 111.019 -179.773 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.855 HG22 ' CG2' ' A' ' 47' ' ' ILE . 1.9 t -51.97 -43.51 36.52 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.12 0 CA-C-O 120.624 0.25 . . . . 0.0 111.444 -179.78 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 4.1 m-20 -58.8 -55.77 30.85 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.735 -0.386 . . . . 0.0 110.517 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.422 ' HB3' HG12 ' C' ' 10' ' ' ILE . 2.5 ttmt -63.58 -43.3 97.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.638 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.75 HG12 ' HA ' ' A' ' 53' ' ' VAL . 10.6 p -64.14 -50.75 75.53 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.13 0 C-N-CA 120.92 -0.312 . . . . 0.0 110.163 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.543 ' HB2' ' O ' ' A' ' 53' ' ' VAL . 1.7 tmm? -58.29 -43.02 87.84 Favored 'General case' 0 N--CA 1.452 -0.375 0 N-CA-C 109.46 -0.571 . . . . 0.0 109.46 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 0.8 OUTLIER -66.98 -31.54 72.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.138 -0.937 . . . . 0.0 110.522 179.162 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.844 HG23 ' H ' ' C' ' 9' ' ' LYS . 21.4 m -64.44 -30.08 71.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.905 -0.588 . . . . 0.0 110.915 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.708 HD21 ' HA ' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -87.17 -26.62 23.48 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.415 -179.664 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -43.6 95.91 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-O 120.861 0.362 . . . . 0.0 111.306 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -109.14 -56.44 2.28 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.713 -179.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.4 31.74 2.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.784 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.1 9.87 58.13 Favored Glycine 0 N--CA 1.449 -0.442 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.502 179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.21 23.02 11.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.808 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.17 -26.05 10.79 Favored Glycine 0 N--CA 1.449 -0.448 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.616 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.546 ' HB3' ' HG3' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -94.6 -177.58 4.27 Favored 'General case' 0 N--CA 1.451 -0.392 0 CA-C-O 120.755 0.312 . . . . 0.0 110.544 179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.584 ' O ' HD23 ' A' ' 27' ' ' LEU . 0.1 OUTLIER -121.22 86.12 2.52 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.372 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.504 ' HA ' ' HA ' ' A' ' 26' ' ' LYS . 7.8 p-10 -73.53 -159.16 0.07 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.759 ' CE1' HD12 ' A' ' 11' ' ' ILE . 0.3 OUTLIER -73.71 -30.85 63.09 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.897 0.38 . . . . 0.0 110.687 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -60.4 -39.49 87.53 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.373 0.606 . . . . 0.0 110.11 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.507 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 2.0 mm-40 -69.74 -31.81 70.0 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.827 179.392 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.518 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 0.1 OUTLIER -55.42 -53.83 51.39 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.102 178.836 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.567 ' CE ' HD11 ' A' ' 10' ' ' LEU . 29.9 mmt -51.81 -54.31 30.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.546 179.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.61 -33.13 74.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.708 ' HA ' HD21 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -55.63 -74.85 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.447 -179.885 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.623 ' O ' HG23 ' A' ' 81' ' ' THR . 4.2 p -59.78 -36.67 67.47 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.182 -179.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -65.86 -50.05 65.93 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 18.8 mtm -64.65 -67.87 0.4 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.261 0.553 . . . . 0.0 111.268 -179.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.642 HG22 ' CD2' ' C' ' 7' ' ' TRP . 12.1 t -45.46 -27.69 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 CA-C-N 115.247 -0.888 . . . . 0.0 112.341 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.623 HG23 ' O ' ' A' ' 77' ' ' VAL . 15.9 p -78.66 -52.75 7.98 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.877 0.37 . . . . 0.0 111.43 -179.774 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 18.5 m -45.07 -33.47 2.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.746 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.626 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -82.67 -65.47 1.01 Allowed 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.704 ' HB3' HG22 ' C' ' 5' ' ' ILE . 19.9 p -84.83 -45.45 12.29 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 -178.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.552 ' C ' ' H ' ' A' ' 87' ' ' PHE . 1.7 t60 -55.46 -16.69 4.0 Favored 'General case' 0 C--N 1.332 -0.153 0 C-N-CA 120.327 -0.549 . . . . 0.0 110.497 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.482 ' O ' ' HB2' ' A' ' 87' ' ' PHE . 0.4 OUTLIER -56.95 -0.99 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.843 177.338 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.552 ' H ' ' C ' ' A' ' 85' ' ' HIS . 60.2 m-85 83.79 34.65 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.421 0 N-CA-C 107.467 -1.308 . . . . 0.0 107.467 -177.523 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.449 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 36.2 p90 42.72 31.65 0.32 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-N 114.514 -1.221 . . . . 0.0 110.391 -178.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.463 ' HA ' ' HB3' ' C' ' 2' ' ' ARG . 2.2 tp10 -170.89 152.99 3.75 Favored 'General case' 0 C--O 1.231 0.114 0 CA-C-N 115.851 -0.613 . . . . 0.0 110.831 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.418 ' CB ' ' HG2' ' C' ' 2' ' ' ARG . 15.3 t-160 -139.49 -53.08 0.54 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.896 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--O 1.248 0.989 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.912 179.951 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 120.878 0.371 . . . . 0.0 111.244 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.426 ' HG2' ' HB1' ' A' ' 9' ' ' ALA . 4.4 mt-10 -69.19 -13.92 62.68 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.418 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.54 HD13 HD11 ' A' ' 40' ' ' LEU . 3.8 mt -82.28 -25.65 33.82 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.74 -0.209 . . . . 0.0 111.549 -179.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -83.94 -43.07 15.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.593 0.235 . . . . 0.0 111.357 -179.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.455 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -72.95 -49.42 29.46 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.859 0.362 . . . . 0.0 111.061 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.479 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -57.92 -50.85 71.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.276 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.538 ' O ' HG12 ' B' ' 11' ' ' ILE . 23.5 ttm -48.27 -63.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.132 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.492 ' HA ' HG12 ' B' ' 11' ' ' ILE . 19.0 t -69.26 -22.71 26.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.117 -179.767 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.455 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -60.27 -41.78 94.01 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.291 0.567 . . . . 0.0 109.92 179.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.573 HD11 ' CE ' ' B' ' 74' ' ' MET . 1.1 pp -71.05 -37.14 72.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.727 179.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.74 HD12 ' CE1' ' B' ' 70' ' ' PHE . 2.6 mm -64.84 -43.57 96.37 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.534 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.525 178.568 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.4 -40.61 18.17 Favored 'General case' 0 CA--C 1.521 -0.162 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.899 HG12 HD11 ' B' ' 35' ' ' LEU . 39.5 t -58.04 -47.46 86.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.472 178.738 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.514 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -71.05 -26.86 63.27 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.618 179.466 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -81.46 -20.44 40.26 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.376 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.9 mt-30 -81.81 -38.11 26.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.379 . . . . 0.0 110.539 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.436 ' CG ' ' HG ' ' B' ' 35' ' ' LEU . 1.8 m-85 -83.06 -55.15 4.54 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.05 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.7 t -62.76 -48.84 77.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.16 -179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -54.9 -29.31 50.64 Favored Glycine 0 N--CA 1.453 -0.173 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.765 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.67 -30.82 70.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.81 0.338 . . . . 0.0 110.931 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -73.67 -74.23 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.934 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.51 -49.76 0.11 Allowed Glycine 0 N--CA 1.45 -0.396 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.565 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -61.68 -39.09 90.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.865 0.364 . . . . 0.0 110.784 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 59.83 32.4 21.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.044 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.452 ' HA ' ' CE2' ' B' ' 14' ' ' PHE . 9.8 t-160 -167.37 47.06 0.06 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.966 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.688 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -175.87 147.65 0.8 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.948 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.688 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.1 mm? -135.02 139.26 44.69 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 178.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.1 OUTLIER -116.0 -178.21 3.35 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 121.122 0.487 . . . . 0.0 111.731 -179.087 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.474 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -59.41 -19.15 44.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.573 -0.74 . . . . 0.0 110.891 179.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 44.4 m -83.37 -54.49 4.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.416 -0.356 . . . . 0.0 110.82 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -78.27 -55.11 5.51 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.374 -179.72 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.465 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.5 tm? -46.85 -61.03 2.04 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.55 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.474 ' HB2' ' O ' ' B' ' 29' ' ' LYS . 5.3 mptt -54.95 -58.99 5.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.868 0.366 . . . . 0.0 111.11 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -53.11 -41.49 65.05 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.58 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.899 HD11 HG12 ' B' ' 13' ' ' VAL . 0.3 OUTLIER -59.15 -50.89 72.32 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.146 0.498 . . . . 0.0 111.037 -179.735 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.901 HG21 HG13 ' B' ' 47' ' ' ILE . 2.2 mt -55.93 -41.92 69.22 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.553 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -77.6 -13.41 59.92 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.519 179.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 66.3 t30 -94.66 -32.98 13.14 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.957 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -109.14 -37.5 5.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.506 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.799 HD12 ' HA ' ' B' ' 36' ' ' ILE . 1.4 mp -103.47 30.44 4.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 111.009 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 8.1 p -61.41 -29.81 70.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.775 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -60.41 -47.56 85.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.064 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 51.3 p90 -154.53 140.0 17.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.359 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.522 HD22 ' HB ' ' B' ' 47' ' ' ILE . 0.5 OUTLIER -111.63 82.68 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.312 179.62 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 11.4 mm-40 -54.76 -25.08 25.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.698 -179.321 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.757 ' O ' HD13 ' B' ' 47' ' ' ILE . 1.7 pm0 -143.06 17.22 1.93 Allowed 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.655 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.901 HG13 HG21 ' B' ' 36' ' ' ILE . 1.8 mm -137.61 49.46 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 121.271 0.558 . . . . 0.0 111.021 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.85 -68.94 0.14 Allowed 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.648 -179.593 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.608 ' O ' HG23 ' B' ' 53' ' ' VAL . 28.9 mt-10 -108.73 -176.02 2.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.08 0.466 . . . . 0.0 111.59 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.26 -41.35 49.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.115 179.442 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.64 -42.61 97.3 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.566 -0.743 . . . . 0.0 111.194 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.591 HG22 ' O ' ' B' ' 49' ' ' GLU . 9.1 m -62.2 -42.7 96.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.038 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.852 HG22 ' CG2' ' B' ' 47' ' ' ILE . 1.9 t -51.92 -43.59 36.08 Favored 'Isoleucine or valine' 0 C--O 1.227 -0.122 0 CA-C-O 120.721 0.296 . . . . 0.0 111.416 -179.807 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.417 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 4.1 m-20 -58.74 -55.78 30.68 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.562 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.429 ' HB3' HG12 ' D' ' 10' ' ' ILE . 2.4 ttmt -63.51 -43.31 97.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.955 179.588 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.755 HG12 ' HA ' ' B' ' 53' ' ' VAL . 10.6 p -64.2 -50.6 76.02 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.142 0 C-N-CA 120.888 -0.325 . . . . 0.0 110.128 179.619 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.526 ' HB2' ' O ' ' B' ' 53' ' ' VAL . 1.7 tmm? -58.43 -42.98 88.49 Favored 'General case' 0 N--CA 1.451 -0.408 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 178.187 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 0.8 OUTLIER -66.97 -31.58 72.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.21 -0.905 . . . . 0.0 110.619 179.101 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.84 HG23 ' H ' ' D' ' 9' ' ' LYS . 21.6 m -64.37 -30.05 71.11 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.936 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.695 HD21 ' HA ' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -87.27 -26.54 23.41 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.448 -179.623 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 22.8 t70 -43.76 95.96 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 120.883 0.373 . . . . 0.0 111.276 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -109.06 -56.44 2.28 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.744 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -137.53 31.8 2.55 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.764 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.12 9.77 58.06 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.451 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 59.29 23.01 11.39 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 120.796 0.332 . . . . 0.0 110.838 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 113.15 -26.14 10.72 Favored Glycine 0 N--CA 1.449 -0.437 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.544 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.549 ' HB3' ' HG3' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -94.6 -177.52 4.25 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-O 120.808 0.337 . . . . 0.0 110.54 179.894 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.59 ' O ' HD23 ' B' ' 27' ' ' LEU . 0.1 OUTLIER -121.25 86.19 2.53 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.373 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.479 ' HA ' ' HA ' ' B' ' 26' ' ' LYS . 7.9 p-10 -73.55 -159.14 0.07 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 179.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.74 ' CE1' HD12 ' B' ' 11' ' ' ILE . 0.3 OUTLIER -73.81 -30.83 62.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.025 0.441 . . . . 0.0 110.741 -179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -60.4 -39.39 87.17 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-O 121.353 0.597 . . . . 0.0 110.204 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.504 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 2.0 mm-40 -69.68 -31.91 70.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.889 179.22 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.514 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 0.1 OUTLIER -55.44 -53.75 52.37 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.128 178.847 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.573 ' CE ' HD11 ' B' ' 10' ' ' LEU . 29.9 mmt -51.8 -54.41 29.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.512 179.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -63.41 -33.2 75.04 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 179.461 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.695 ' HA ' HD21 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -55.59 -74.82 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.429 -179.81 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.606 ' O ' HG23 ' B' ' 81' ' ' THR . 4.3 p -59.84 -36.7 67.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.125 -179.499 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.502 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -65.97 -49.96 66.02 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 115.645 -0.707 . . . . 0.0 112.76 -178.68 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 18.8 mtm -64.73 -67.89 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.282 0.563 . . . . 0.0 111.257 -179.163 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.652 HG22 ' CD2' ' D' ' 7' ' ' TRP . 12.3 t -45.53 -27.52 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 115.271 -0.877 . . . . 0.0 112.348 -179.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.606 HG23 ' O ' ' B' ' 77' ' ' VAL . 16.0 p -78.72 -52.76 7.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.0 111.383 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 18.4 m -45.1 -33.45 2.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.764 -179.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.599 ' HB1' ' HA ' ' D' ' 5' ' ' ILE . . . -82.58 -65.57 0.99 Allowed 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.534 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.726 ' HB3' HG22 ' D' ' 5' ' ' ILE . 19.9 p -84.78 -45.5 12.3 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 113.039 0.755 . . . . 0.0 113.039 -178.064 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.555 ' C ' ' H ' ' B' ' 87' ' ' PHE . 1.7 t60 -55.47 -16.64 3.98 Favored 'General case' 0 C--N 1.331 -0.207 0 C-N-CA 120.323 -0.551 . . . . 0.0 110.493 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.488 ' O ' ' HB2' ' B' ' 87' ' ' PHE . 0.4 OUTLIER -56.92 -1.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.8 177.397 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . 0.555 ' H ' ' C ' ' B' ' 85' ' ' HIS . 60.4 m-85 83.81 34.72 0.05 OUTLIER 'General case' 0 CA--C 1.514 -0.433 0 N-CA-C 107.405 -1.332 . . . . 0.0 107.405 -177.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.45 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 36.3 p90 42.74 31.61 0.32 Allowed 'General case' 0 CA--C 1.528 0.1 0 CA-C-N 114.577 -1.192 . . . . 0.0 110.448 -178.414 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.479 ' HA ' ' HB3' ' D' ' 2' ' ' ARG . 2.2 tp10 -170.87 152.86 3.73 Favored 'General case' 0 CA--C 1.528 0.103 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.81 -179.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.414 ' CB ' ' HG2' ' D' ' 2' ' ' ARG . 15.2 t-160 -139.37 -53.03 0.55 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.92 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.232 -0.889 . . . . 0.0 110.905 179.975 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . 0.782 HG22 ' OD2' ' C' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.728 0.299 . . . . 0.0 111.296 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . 0.463 ' HB3' ' HA ' ' A' ' 89' ' ' GLU . 0.4 OUTLIER -50.42 -71.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.893 0.377 . . . . 0.0 110.423 179.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -99.32 1.9 44.91 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.991 179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 1.011 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -79.22 -3.17 44.53 Favored 'General case' 0 N--CA 1.454 -0.268 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.549 179.577 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 1.011 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 33.79 37.62 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.462 0.167 0 CA-C-O 121.354 0.597 . . . . 0.0 111.589 -179.82 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.782 ' OD2' HG22 ' C' ' 1' ' ' THR . 17.9 p-10 -60.82 83.74 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.989 -179.376 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.642 ' CD2' HG22 ' A' ' 80' ' ' VAL . 20.6 m0 -75.47 -39.33 58.83 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 178.426 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.586 ' O ' ' HA ' ' C' ' 12' ' ' SER . 3.8 m-20 168.41 -93.63 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.321 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.743 179.227 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.844 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -97.92 -44.81 6.53 Favored 'General case' 0 CA--C 1.535 0.368 0 N-CA-C 112.629 0.603 . . . . 0.0 112.629 -179.659 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.728 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.95 -59.24 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.124 0.416 . . . . 0.0 112.124 -178.034 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.728 HD23 HG23 ' C' ' 10' ' ' ILE . 3.8 mm? -91.73 -12.88 32.73 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 178.72 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.586 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 47.2 t . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.119 -0.943 . . . . 0.0 111.165 179.675 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . 0.787 HG22 ' OD2' ' D' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.399 0 CA-C-O 120.678 0.275 . . . . 0.0 111.267 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . 0.479 ' HB3' ' HA ' ' B' ' 89' ' ' GLU . 0.4 OUTLIER -50.38 -71.13 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.878 0.371 . . . . 0.0 110.436 179.766 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 2.2 t -99.25 1.88 45.11 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.977 179.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 1.019 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -79.18 -3.12 44.14 Favored 'General case' 0 N--CA 1.454 -0.263 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.495 179.584 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 1.019 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 33.85 37.48 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.21 0 CA-C-O 121.31 0.576 . . . . 0.0 111.6 -179.854 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.787 ' OD2' HG22 ' D' ' 1' ' ' THR . 17.9 p-10 -60.84 83.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.427 -0.806 . . . . 0.0 112.075 -179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.652 ' CD2' HG22 ' B' ' 80' ' ' VAL . 20.2 m0 -75.39 -39.4 59.14 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 109.408 -0.59 . . . . 0.0 109.408 178.41 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.585 ' O ' ' HA ' ' D' ' 12' ' ' SER . 3.8 m-20 168.49 -93.58 0.0 OUTLIER 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.708 179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . 0.84 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -98.0 -44.79 6.51 Favored 'General case' 0 CA--C 1.533 0.304 0 N-CA-C 112.599 0.592 . . . . 0.0 112.599 -179.622 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.74 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.87 -59.24 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.336 0 N-CA-C 112.176 0.435 . . . . 0.0 112.176 -178.075 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.74 HD23 HG23 ' D' ' 10' ' ' ILE . 3.8 mm? -91.77 -12.86 32.65 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.494 -0.558 . . . . 0.0 109.494 178.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.585 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 47.4 t . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.197 -0.906 . . . . 0.0 111.199 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 84.6 p . . . . . 0 N--CA 1.486 1.37 0 CA-C-O 120.885 0.374 . . . . 0.0 111.178 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.725 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.2 OUTLIER -61.81 -38.57 88.6 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.361 0.601 . . . . 0.0 110.745 179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.493 HD12 ' OE2' ' B' ' 39' ' ' GLU . 0.7 OUTLIER -55.16 -23.05 19.55 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.834 179.752 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.44 -43.4 14.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.517 -179.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.529 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -79.82 -34.38 39.54 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.698 0.285 . . . . 0.0 111.098 -179.562 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -63.97 -43.54 95.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.844 0.355 . . . . 0.0 110.633 179.378 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 5.5 ttm -58.86 -54.39 47.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.261 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.658 ' HA ' HG22 ' A' ' 11' ' ' ILE . 23.6 t -74.21 -17.54 16.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.466 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.714 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -66.22 -40.97 90.7 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 121.36 0.6 . . . . 0.0 109.453 178.754 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.504 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 0.5 OUTLIER -65.56 -58.97 4.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.072 179.11 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.658 HG22 ' HA ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -52.66 -38.36 27.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.185 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.504 179.563 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.7 -43.45 47.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.141 -0.482 . . . . 0.0 109.984 179.182 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.81 HG12 ' HG ' ' A' ' 35' ' ' LEU . 3.2 t -63.69 -34.15 66.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.559 179.194 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -79.7 -28.74 40.6 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.114 179.458 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.401 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 1.4 m170 -81.26 -15.96 54.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.01 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -82.01 -50.01 9.6 Favored 'General case' 0 N--CA 1.452 -0.355 0 CA-C-O 120.889 0.376 . . . . 0.0 110.001 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.834 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.7 m-85 -83.7 -60.54 2.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.433 179.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.418 ' HB2' HD21 ' A' ' 27' ' ' LEU . 0.2 OUTLIER -56.85 127.99 34.5 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.904 0.383 . . . . 0.0 111.07 -179.767 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.647 ' N ' ' HB2' ' A' ' 24' ' ' LYS . . . 122.29 46.0 0.31 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.689 179.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -58.47 -33.95 70.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.904 0.383 . . . . 0.0 110.474 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -128.35 29.07 5.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.68 179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.64 -142.61 8.4 Favored Glycine 0 C--N 1.331 0.274 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.291 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 -85.29 -29.88 24.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.852 0.358 . . . . 0.0 110.882 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.647 ' HB2' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 66.15 -166.61 0.22 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.327 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.439 ' O ' ' CB ' ' A' ' 69' ' ' ASP . 14.8 t-160 -168.82 -33.7 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.962 179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.675 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.56 157.08 20.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.868 0.366 . . . . 0.0 110.385 -179.818 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.643 HD23 ' HB3' ' A' ' 31' ' ' GLU . 3.4 mp -134.58 138.82 44.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.622 -179.627 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.46 -178.67 3.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.321 -179.167 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.434 ' N ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -47.08 -44.01 20.7 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.775 179.905 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -56.77 -50.21 72.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.725 179.648 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.788 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -69.89 -68.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.973 179.795 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' A' ' 53' ' ' VAL . 30.9 tp -42.37 -71.04 0.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.91 -179.628 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.801 ' HG2' HG11 ' A' ' 53' ' ' VAL . 75.2 mttt -42.58 -46.44 4.93 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 120.772 0.32 . . . . 0.0 111.711 -179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.436 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -49.2 -58.45 4.99 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 112.018 0.377 . . . . 0.0 112.018 -179.243 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.834 HD11 ' CD1' ' A' ' 17' ' ' TYR . 1.2 mm? -52.92 -32.59 46.3 Favored 'General case' 0 CA--C 1.516 -0.361 0 CA-C-O 120.924 0.392 . . . . 0.0 111.523 -179.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.001 HG23 HD12 ' A' ' 40' ' ' LEU . 1.5 mt -58.93 -53.3 49.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.71 179.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.41 ' HB3' ' CG ' ' A' ' 46' ' ' GLU . 24.4 p30 -83.81 -8.17 59.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.636 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.454 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 5.7 t-20 -97.65 -18.57 18.81 Favored 'General case' 0 N--CA 1.457 -0.104 0 N-CA-C 112.001 0.371 . . . . 0.0 112.001 -179.468 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.493 ' OE2' HD12 ' B' ' 3' ' ' LEU . 0.0 OUTLIER -150.03 42.43 0.86 Allowed 'General case' 0 CA--C 1.533 0.318 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 -179.173 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.001 HD12 HG23 ' A' ' 36' ' ' ILE . 59.1 mt -135.13 -88.05 0.36 Allowed 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.922 -0.311 . . . . 0.0 110.858 178.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.27 52.4 12.15 Favored 'General case' 0 CA--C 1.529 0.169 0 CA-C-O 120.834 0.35 . . . . 0.0 111.459 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -155.47 -71.43 0.12 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.932 179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CD2' ' HA ' ' A' ' 91' ' ' GLU . 85.8 m-85 -106.14 -51.45 2.97 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.995 0.426 . . . . 0.0 110.346 179.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.594 ' CB ' HD13 ' A' ' 40' ' ' LEU . 2.6 mm? -100.04 34.38 2.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.019 179.192 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.45 104.53 0.05 Allowed 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.311 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.648 ' O ' HG22 ' A' ' 47' ' ' ILE . 2.3 mt-10 59.58 20.79 9.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.151 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.674 ' HB ' HG21 ' A' ' 36' ' ' ILE . 0.6 OUTLIER 50.86 164.29 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.412 0 O-C-N 123.433 0.458 . . . . 0.0 111.511 179.865 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.646 ' H ' HG13 ' A' ' 47' ' ' ILE . 6.2 mtmt -54.76 -33.41 61.24 Favored 'General case' 0 C--O 1.231 0.121 0 CA-C-O 120.851 0.358 . . . . 0.0 111.253 -179.02 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' O ' HG22 ' A' ' 52' ' ' VAL . 6.6 tt0 174.39 175.19 0.17 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.714 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -16.83 61.1 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.08 178.684 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -81.29 -40.01 24.34 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.228 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.97 ' O ' HG23 ' A' ' 56' ' ' VAL . 14.8 m -64.63 -38.35 82.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.906 -0.405 . . . . 0.0 109.906 179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.801 HG11 ' HG2' ' A' ' 33' ' ' LYS . 74.3 t -64.56 -51.29 69.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.125 179.558 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.4 -32.85 18.74 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 121.235 0.54 . . . . 0.0 109.715 178.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.1 OUTLIER -85.38 -30.69 23.42 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 115.351 -0.84 . . . . 0.0 109.478 178.339 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 52' ' ' VAL . 55.0 t -61.15 -48.33 89.51 Favored 'Isoleucine or valine' 0 C--O 1.232 0.16 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 178.709 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.434 ' HE1' ' N ' ' A' ' 29' ' ' LYS . 3.8 ptp -68.11 -39.48 82.8 Favored 'General case' 0 CA--C 1.521 -0.15 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.87 -32.94 74.88 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.115 178.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.713 HG23 ' HB2' ' C' ' 8' ' ' ASN . 34.5 m -76.92 -20.16 56.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 114.998 -1.001 . . . . 0.0 110.105 179.013 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.935 HD11 ' CD1' ' A' ' 76' ' ' PHE . 7.3 mt -98.68 -17.88 18.34 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.04 179.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 13.0 t0 -40.59 93.26 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.198 -0.455 . . . . 0.0 112.066 -179.254 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.48 -31.57 9.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.349 179.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.3 p30 179.1 38.85 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.624 179.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' HA2' ' HD3' ' A' ' 26' ' ' LYS . . . -114.74 5.83 22.5 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.832 -0.699 . . . . 0.0 112.934 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 67.5 m-20 63.04 24.79 14.69 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.683 0.278 . . . . 0.0 111.198 179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.64 18.34 11.89 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.67 -0.776 . . . . 0.0 113.15 179.671 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.36 159.51 33.01 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.791 0.329 . . . . 0.0 110.338 179.724 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.99 86.58 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.491 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.675 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -74.35 -175.01 2.17 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.933 0.397 . . . . 0.0 110.386 179.846 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.657 ' CG ' HD12 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -63.27 -35.54 80.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.778 -179.514 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.567 ' HA ' HG22 ' B' ' 82' ' ' THR . 0.2 OUTLIER -74.19 -26.36 60.23 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.276 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.442 ' O ' HD22 ' A' ' 60' ' ' LEU . 5.2 mm-40 -77.96 -38.4 45.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.333 -179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -73.44 -31.81 64.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.855 0.36 . . . . 0.0 110.655 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.433 ' N ' ' CD1' ' A' ' 73' ' ' PHE . 6.7 mmm -61.9 -60.94 2.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.167 -179.84 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.414 ' O ' ' HB3' ' A' ' 79' ' ' MET . . . -60.52 -23.53 64.63 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.752 179.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.935 ' CD1' HD11 ' A' ' 60' ' ' LEU . 20.7 t80 -67.37 -71.7 0.2 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.901 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.592 ' O ' HG23 ' A' ' 81' ' ' THR . 22.8 t -45.6 -29.92 0.88 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.159 0 CA-C-O 121.108 0.48 . . . . 0.0 110.654 -179.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.685 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.98 -44.65 12.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.969 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.46 ' CG ' ' HA ' ' A' ' 76' ' ' PHE . 0.0 OUTLIER -69.53 -41.45 75.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.342 0.591 . . . . 0.0 110.571 -179.597 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.626 HG13 ' CZ2' ' C' ' 7' ' ' TRP . 57.9 t -64.61 -42.99 96.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.623 0 CA-C-N 115.215 -0.902 . . . . 0.0 110.843 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 77' ' ' VAL . 52.2 p -73.35 -49.13 28.92 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.06 179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 78' ' ' ALA . 13.3 p -46.22 -31.81 2.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.904 -179.436 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.475 ' HB1' ' O ' ' C' ' 1' ' ' THR . . . -80.62 -68.66 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.31 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.59 -53.84 4.58 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.554 ' HA ' ' HA ' ' A' ' 89' ' ' GLU . 6.2 t60 -47.11 -20.44 0.17 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.922 0.392 . . . . 0.0 110.952 179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.48 ' HA ' ' CE2' ' B' ' 70' ' ' PHE . 30.2 tt0 -55.03 -65.66 0.54 Allowed 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 115.921 -0.581 . . . . 0.0 112.032 -179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.16 -13.86 6.11 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.865 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 44.3 m-85 -95.14 -18.52 20.87 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.626 179.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 85' ' ' HIS . 4.7 mt-10 59.46 109.19 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.163 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.833 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.415 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 0.1 OUTLIER -99.53 -72.09 0.67 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.847 0.356 . . . . 0.0 110.919 -179.812 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.431 ' HA ' ' CD2' ' A' ' 43' ' ' PHE . 13.9 pt-20 . . . . . 0 C--O 1.25 1.122 0 CA-C-O 118.198 -0.906 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 84.9 p . . . . . 0 N--CA 1.485 1.322 0 CA-C-O 120.902 0.382 . . . . 0.0 111.207 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.714 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.2 OUTLIER -61.95 -38.6 89.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.282 0.563 . . . . 0.0 110.689 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.493 HD12 ' OE2' ' A' ' 39' ' ' GLU . 0.7 OUTLIER -55.02 -23.17 18.32 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.92 179.666 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 tt0 -84.4 -43.27 14.85 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.611 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.537 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -79.85 -34.38 39.4 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.701 0.286 . . . . 0.0 111.086 -179.598 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.662 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -63.94 -43.65 95.23 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.891 0.376 . . . . 0.0 110.533 179.432 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 5.5 ttm -58.84 -54.22 49.58 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.314 179.426 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.65 ' HA ' HG22 ' B' ' 11' ' ' ILE . 24.0 t -74.35 -17.58 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.381 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.725 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -66.35 -40.91 90.11 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.509 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 0.5 OUTLIER -65.6 -58.94 4.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.465 -0.789 . . . . 0.0 110.099 179.081 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.669 HD12 ' CG ' ' B' ' 70' ' ' PHE . 0.8 OUTLIER -52.69 -38.3 27.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.174 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.559 179.513 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.73 -43.38 47.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.17 -0.468 . . . . 0.0 109.972 179.115 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.849 HG12 ' HG ' ' B' ' 35' ' ' LEU . 3.2 t -63.74 -34.12 66.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.615 179.232 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.542 ' CE2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -79.54 -28.99 41.24 Favored 'General case' 0 N--CA 1.461 0.12 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.192 179.394 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.406 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 1.4 m170 -81.1 -15.92 54.57 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.804 -0.635 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.9 -50.15 9.5 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.863 0.363 . . . . 0.0 110.031 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.818 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.66 -60.45 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.453 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.411 ' HB2' HD21 ' B' ' 27' ' ' LEU . 0.2 OUTLIER -56.95 128.03 34.86 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.16 -179.814 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.653 ' N ' ' HB2' ' B' ' 24' ' ' LYS . . . 122.24 46.04 0.31 Allowed Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.946 -0.645 . . . . 0.0 112.718 179.257 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -58.44 -33.95 70.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.965 0.412 . . . . 0.0 110.491 179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 14.0 mt-10 -128.45 28.99 5.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.599 179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.76 -142.69 8.45 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.299 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -85.21 -29.94 24.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.909 0.385 . . . . 0.0 110.893 179.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.653 ' HB2' ' N ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER 66.19 -166.57 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.331 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.444 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 14.8 t-160 -168.92 -33.59 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.967 179.085 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.703 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.68 157.01 20.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.849 0.357 . . . . 0.0 110.419 -179.847 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.62 HD23 ' HB3' ' B' ' 31' ' ' GLU . 3.4 mp -134.53 138.8 44.94 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.646 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.33 -178.73 3.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.355 -179.162 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.443 ' N ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -47.11 -43.87 20.89 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.86 179.877 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 2.0 p -56.86 -50.17 73.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.646 179.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.797 ' O ' HD22 ' B' ' 35' ' ' LEU . 0.3 OUTLIER -70.02 -68.36 0.42 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.889 179.86 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.401 ' CD2' HG13 ' B' ' 53' ' ' VAL . 30.5 tp -42.29 -71.13 0.09 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.911 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.784 ' CG ' HG11 ' B' ' 53' ' ' VAL . 75.2 mttt -42.48 -46.41 4.79 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.871 0.367 . . . . 0.0 111.835 -179.516 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.445 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 0.9 OUTLIER -49.22 -58.47 4.96 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.341 -0.39 . . . . 0.0 112.001 -179.264 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.849 ' HG ' HG12 ' B' ' 13' ' ' VAL . 1.2 mm? -52.92 -32.58 46.33 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 120.936 0.398 . . . . 0.0 111.48 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 1.034 HG23 HD12 ' B' ' 40' ' ' LEU . 1.5 mt -58.97 -53.21 50.98 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 116.02 -0.536 . . . . 0.0 109.695 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.407 ' HB3' ' CG ' ' B' ' 46' ' ' GLU . 24.4 p30 -83.83 -8.27 59.26 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.61 178.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.448 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 5.8 t-20 -97.66 -18.49 18.85 Favored 'General case' 0 CA--C 1.528 0.128 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.967 -179.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.493 ' OE2' HD12 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -150.08 42.38 0.85 Allowed 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.406 0.891 . . . . 0.0 113.406 -179.143 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 1.034 HD12 HG23 ' B' ' 36' ' ' ILE . 59.6 mt -135.11 -88.09 0.36 Allowed 'General case' 0 N--CA 1.464 0.268 0 C-N-CA 120.929 -0.308 . . . . 0.0 110.852 178.477 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 47.29 52.3 12.29 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.782 0.325 . . . . 0.0 111.527 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -155.37 -71.48 0.12 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.878 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.427 ' CD2' ' HA ' ' B' ' 91' ' ' GLU . 85.8 m-85 -106.07 -51.45 2.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.968 0.413 . . . . 0.0 110.379 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.587 ' CB ' HD13 ' B' ' 40' ' ' LEU . 2.6 mm? -100.06 34.41 2.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.843 -0.617 . . . . 0.0 109.993 179.206 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -46.46 104.57 0.05 Allowed 'General case' 0 C--O 1.232 0.174 0 CA-C-N 115.837 -0.619 . . . . 0.0 111.298 -179.734 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.653 ' O ' HG22 ' B' ' 47' ' ' ILE . 2.3 mt-10 59.6 20.71 9.28 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.181 179.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.661 ' HB ' HG21 ' B' ' 36' ' ' ILE . 0.6 OUTLIER 50.89 164.23 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.536 0.408 0 O-C-N 123.394 0.434 . . . . 0.0 111.554 179.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.627 ' H ' HG13 ' B' ' 47' ' ' ILE . 6.2 mtmt -54.77 -33.36 61.24 Favored 'General case' 0 C--O 1.232 0.184 0 CA-C-O 120.74 0.305 . . . . 0.0 111.185 -178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.511 ' O ' HG22 ' B' ' 52' ' ' VAL . 6.6 tt0 174.32 175.16 0.17 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.724 -179.701 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.84 -16.72 61.13 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.092 178.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -81.4 -40.0 24.1 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.211 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.975 ' O ' HG23 ' B' ' 56' ' ' VAL . 14.5 m -64.66 -38.34 82.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 N-CA-C 109.796 -0.446 . . . . 0.0 109.796 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.784 HG11 ' CG ' ' B' ' 33' ' ' LYS . 73.9 t -64.66 -51.29 69.39 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.203 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.104 179.619 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -50.3 -32.92 18.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.255 0.55 . . . . 0.0 109.712 178.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.489 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.1 OUTLIER -85.3 -30.75 23.49 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-N 115.341 -0.845 . . . . 0.0 109.448 178.361 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.975 HG23 ' O ' ' B' ' 52' ' ' VAL . 54.7 t -61.23 -48.21 90.01 Favored 'Isoleucine or valine' 0 C--O 1.231 0.107 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.642 178.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.443 ' HE1' ' N ' ' B' ' 29' ' ' LYS . 3.8 ptp -68.2 -39.36 82.46 Favored 'General case' 0 CA--C 1.521 -0.163 0 N-CA-C 109.22 -0.659 . . . . 0.0 109.22 178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.01 -32.79 74.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.625 -0.716 . . . . 0.0 109.121 178.256 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.711 HG23 ' HB2' ' D' ' 8' ' ' ASN . 33.6 m -77.02 -20.24 56.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 114.949 -1.023 . . . . 0.0 110.054 178.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.939 HD11 ' CD1' ' B' ' 76' ' ' PHE . 7.3 mt -98.73 -17.74 18.37 Favored 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.008 179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -40.66 93.26 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.196 -0.457 . . . . 0.0 112.108 -179.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -103.5 -31.5 9.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.419 179.433 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.4 p30 179.15 38.89 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.65 179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -114.75 5.7 22.51 Favored Glycine 0 CA--C 1.518 0.277 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.915 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 67.7 m-20 63.09 24.71 14.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.616 0.246 . . . . 0.0 111.25 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 105.71 18.32 11.86 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.642 -0.79 . . . . 0.0 113.053 179.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -126.26 159.52 32.84 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.704 0.288 . . . . 0.0 110.434 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.0 86.51 3.07 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.571 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.703 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -74.31 -175.06 2.17 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.971 0.415 . . . . 0.0 110.375 179.898 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.669 ' CG ' HD12 ' B' ' 11' ' ' ILE . 0.2 OUTLIER -63.19 -35.6 80.86 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.954 -0.567 . . . . 0.0 110.767 -179.517 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.594 ' HA ' HG22 ' A' ' 82' ' ' THR . 0.2 OUTLIER -74.2 -26.32 60.19 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.282 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.45 ' O ' HD22 ' B' ' 60' ' ' LEU . 5.1 mm-40 -77.87 -38.46 45.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.467 -0.333 . . . . 0.0 111.301 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.595 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -73.44 -31.92 64.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 110.564 -179.722 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.431 ' N ' ' CD1' ' B' ' 73' ' ' PHE . 6.7 mmm -61.86 -60.9 2.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.193 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.422 ' O ' ' HB3' ' B' ' 79' ' ' MET . . . -60.5 -23.61 64.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.658 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.939 ' CD1' HD11 ' B' ' 60' ' ' LEU . 20.8 t80 -67.37 -71.66 0.2 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.903 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.586 ' O ' HG23 ' B' ' 81' ' ' THR . 22.9 t -45.53 -29.96 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.128 0.49 . . . . 0.0 110.669 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.679 ' O ' HG23 ' B' ' 82' ' ' THR . . . -86.0 -44.65 12.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.947 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.469 ' HG3' ' O ' ' B' ' 76' ' ' PHE . 0.0 OUTLIER -69.56 -41.46 75.84 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.325 0.583 . . . . 0.0 110.499 -179.499 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.612 HG13 ' CZ2' ' D' ' 7' ' ' TRP . 57.7 t -64.68 -42.98 96.57 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.766 179.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.586 HG23 ' O ' ' B' ' 77' ' ' VAL . 53.6 p -73.27 -49.17 29.13 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.057 179.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.679 HG23 ' O ' ' B' ' 78' ' ' ALA . 12.9 p -46.4 -31.71 2.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.856 -179.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.468 ' HB1' ' O ' ' D' ' 1' ' ' THR . . . -80.55 -68.63 0.66 Allowed 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -179.413 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.68 -53.73 4.63 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -178.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.553 ' HA ' ' HA ' ' B' ' 89' ' ' GLU . 6.2 t60 -47.33 -20.27 0.2 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.939 0.399 . . . . 0.0 110.878 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.481 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 30.2 tt0 -55.12 -65.66 0.54 Allowed 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 115.965 -0.561 . . . . 0.0 112.019 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -126.19 -13.8 6.1 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.799 -179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -95.27 -18.36 20.89 Favored 'General case' 0 N--CA 1.451 -0.389 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.615 179.456 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' B' ' 85' ' ' HIS . 4.7 mt-10 59.43 109.24 0.02 OUTLIER 'General case' 0 CA--C 1.529 0.142 0 C-N-CA 120.79 -0.364 . . . . 0.0 110.76 179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.409 ' O ' ' CD1' ' B' ' 43' ' ' PHE . 0.1 OUTLIER -99.51 -72.14 0.67 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.806 0.336 . . . . 0.0 110.951 -179.922 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.427 ' HA ' ' CD2' ' B' ' 43' ' ' PHE . 13.8 pt-20 . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.17 -0.919 . . . . 0.0 110.941 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . 0.529 HG22 ' CG ' ' C' ' 6' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.35 0 CA-C-O 120.727 0.298 . . . . 0.0 111.314 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.45 -71.57 0.18 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.932 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.72 -4.75 32.88 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.597 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.712 ' O ' HD12 ' C' ' 5' ' ' ILE . 0.5 OUTLIER -83.23 -1.07 52.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.692 -0.231 . . . . 0.0 110.857 179.47 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.958 HD13 ' CD1' ' C' ' 7' ' ' TRP . 1.9 pp 56.92 -13.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.507 0 C-N-CA 124.125 0.97 . . . . 0.0 113.31 -178.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.567 ' H ' ' C ' ' C' ' 4' ' ' LYS . 4.2 t70 43.41 59.98 2.79 Favored 'General case' 0 CA--C 1.535 0.374 0 N-CA-C 112.971 0.73 . . . . 0.0 112.971 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.958 ' CD1' HD13 ' C' ' 5' ' ' ILE . 10.9 m0 -98.7 -68.99 0.78 Allowed 'General case' 0 N--CA 1.463 0.18 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.713 ' HB2' HG23 ' A' ' 59' ' ' THR . 0.8 OUTLIER 159.58 -95.88 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.381 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.311 178.51 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 -39.38 8.89 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 113.612 0.968 . . . . 0.0 113.612 -178.679 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.867 HG23 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.32 -59.72 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.36 0 N-CA-C 112.435 0.531 . . . . 0.0 112.435 -177.451 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.867 HD12 HG23 ' C' ' 10' ' ' ILE . 1.0 OUTLIER -94.6 -18.37 21.45 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.074 0.464 . . . . 0.0 110.315 179.541 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.527 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 53.1 p . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.214 -0.898 . . . . 0.0 111.194 179.675 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . 0.516 HG22 ' CG ' ' D' ' 6' ' ' ASP . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.397 0 CA-C-O 120.671 0.272 . . . . 0.0 111.311 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -65.45 -71.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.907 -179.822 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.8 -4.71 32.68 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.418 -0.356 . . . . 0.0 111.543 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.722 ' O ' HD12 ' D' ' 5' ' ' ILE . 0.5 OUTLIER -83.32 -1.05 52.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.719 -0.219 . . . . 0.0 110.752 179.538 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.938 HD13 ' CD1' ' D' ' 7' ' ' TRP . 1.9 pp 56.94 -13.91 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 124.103 0.961 . . . . 0.0 113.362 -178.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.561 ' H ' ' C ' ' D' ' 4' ' ' LYS . 4.3 t70 43.43 59.9 2.82 Favored 'General case' 0 CA--C 1.534 0.361 0 N-CA-C 113.021 0.749 . . . . 0.0 113.021 178.785 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.938 ' CD1' HD13 ' D' ' 5' ' ' ILE . 10.9 m0 -98.7 -68.9 0.78 Allowed 'General case' 0 N--CA 1.462 0.157 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 178.12 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.711 ' HB2' HG23 ' B' ' 59' ' ' THR . 0.8 OUTLIER 159.51 -95.84 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.307 178.445 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.21 -39.44 8.86 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -178.732 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.833 HG23 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.23 -59.65 1.97 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.327 0 N-CA-C 112.511 0.56 . . . . 0.0 112.511 -177.474 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.881 HD22 HG12 ' D' ' 5' ' ' ILE . 1.0 OUTLIER -94.55 -18.46 21.4 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 121.045 0.45 . . . . 0.0 110.323 179.479 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.522 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 53.0 p . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.244 -0.884 . . . . 0.0 111.235 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 29.7 t . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.802 0.334 . . . . 0.0 111.193 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -56.09 -23.72 35.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.73 HD23 ' CE ' ' A' ' 7' ' ' MET . 1.3 tt -66.91 -49.95 63.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -74.64 -38.47 62.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.155 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.444 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 5.6 mtpp -67.36 -49.65 63.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.266 -179.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -64.02 -51.92 61.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.533 -179.743 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.73 ' CE ' HD23 ' A' ' 3' ' ' LEU . 7.4 ptp -50.86 -49.13 59.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.682 0.277 . . . . 0.0 110.785 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.564 HG23 ' HG3' ' A' ' 7' ' ' MET . 52.0 t -78.42 -23.64 13.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.513 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -58.02 -42.6 85.61 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.268 0.556 . . . . 0.0 109.838 179.215 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.571 HD12 ' HD2' ' A' ' 73' ' ' PHE . 1.5 pp -72.0 -40.29 68.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.765 179.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.714 HG12 ' O ' ' A' ' 7' ' ' MET . 3.0 mm -62.26 -43.57 98.14 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.463 0 N-CA-C 109.589 -0.523 . . . . 0.0 109.589 178.482 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.12 -43.82 20.97 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.066 -0.516 . . . . 0.0 109.772 179.044 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.621 HG12 ' HG ' ' A' ' 35' ' ' LEU . 38.4 t -57.0 -41.28 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.398 178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.535 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -77.48 -27.95 52.13 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.673 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.683 ' CD2' HG22 ' A' ' 11' ' ' ILE . 24.3 m-70 -73.32 -24.52 60.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.813 0.339 . . . . 0.0 111.311 -179.681 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.81 -52.25 5.88 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.76 -179.352 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.803 ' CG ' HD11 ' A' ' 35' ' ' LEU . 5.1 m-85 -83.75 -57.88 3.03 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 113.37 0.878 . . . . 0.0 113.37 -177.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 14' ' ' PHE . 3.3 t -36.37 -33.81 0.05 Allowed 'General case' 0 N--CA 1.469 0.483 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -178.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -169.0 135.44 3.61 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.078 -1.058 . . . . 0.0 113.233 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -105.55 -39.62 6.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.93 0.395 . . . . 0.0 110.514 179.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -148.15 93.06 2.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.866 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.61 -147.24 16.11 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.614 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 13.9 t0 -56.57 -66.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.771 0.32 . . . . 0.0 110.904 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 63.95 110.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.291 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.429 ' O ' ' HB2' ' A' ' 69' ' ' ASP . 12.0 t-160 179.85 -34.97 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.974 179.6 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.561 ' HG3' ' HB3' ' A' ' 67' ' ' GLU . 0.1 OUTLIER -111.47 156.81 21.1 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.725 -179.524 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.715 HD23 ' HB3' ' A' ' 31' ' ' GLU . 4.8 mp -134.36 139.43 45.63 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.884 -179.485 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.508 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 11.6 pttt -109.64 -178.39 3.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.243 0.544 . . . . 0.0 112.093 -178.733 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.544 ' HB2' ' HE2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -45.6 -33.78 3.02 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.542 -179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.26 -61.9 1.77 Allowed 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.298 -179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.811 ' O ' HD22 ' A' ' 35' ' ' LEU . 3.2 mp0 -65.85 -59.13 4.18 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.779 -179.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.716 HD12 ' CG1' ' A' ' 53' ' ' VAL . 0.9 OUTLIER -41.84 -70.25 0.11 Allowed 'General case' 0 N--CA 1.464 0.269 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -179.123 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.584 ' HG3' HG21 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -53.24 -28.26 26.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 0.0 111.339 -179.666 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.464 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -60.45 -64.18 1.04 Allowed 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.42 -0.354 . . . . 0.0 110.847 179.93 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.3 mm? -46.53 -32.31 3.3 Favored 'General case' 0 CA--C 1.516 -0.345 0 CA-C-O 120.999 0.428 . . . . 0.0 111.198 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.946 HG23 HD12 ' A' ' 40' ' ' LEU . 1.4 mt -53.27 -64.38 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.726 179.325 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.67 -7.94 59.48 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.716 178.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.535 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 4.6 t30 -86.16 -32.72 21.1 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.65 -0.25 . . . . 0.0 111.646 -179.677 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 56.31 0.47 Allowed 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 113.462 0.912 . . . . 0.0 113.462 -179.27 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.946 HD12 HG23 ' A' ' 36' ' ' ILE . 13.1 mt -119.83 57.24 0.93 Allowed 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.915 0.388 . . . . 0.0 110.728 178.137 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.74 80.65 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.048 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -178.68 -40.27 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.606 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -172.2 37.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.817 -0.628 . . . . 0.0 110.37 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.845 HD23 ' O ' ' A' ' 40' ' ' LEU . 0.1 OUTLIER -46.81 -80.32 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.311 -179.771 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.17 26.81 1.58 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.926 0.393 . . . . 0.0 110.679 -179.632 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.628 ' O ' HG22 ' A' ' 47' ' ' ILE . 26.2 tt0 52.86 40.22 30.4 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.949 -179.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.72 ' HB ' HG21 ' A' ' 36' ' ' ILE . 0.6 OUTLIER 50.89 163.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 O-C-N 123.463 0.477 . . . . 0.0 111.083 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.833 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -53.53 -30.18 40.37 Favored 'General case' 0 C--O 1.231 0.086 0 O-C-N 121.984 -0.448 . . . . 0.0 111.572 -178.494 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.547 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.1 OUTLIER 170.31 178.48 0.05 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.096 0.474 . . . . 0.0 111.29 -179.783 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -76.95 -18.26 58.37 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.819 178.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.08 -40.03 24.76 Favored 'General case' 0 N--CA 1.456 -0.146 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.079 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.98 ' O ' HG23 ' A' ' 56' ' ' VAL . 26.5 m -62.42 -44.83 99.65 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.211 0 N-CA-C 109.894 -0.409 . . . . 0.0 109.894 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.716 ' CG1' HD12 ' A' ' 32' ' ' LEU . 55.7 t -67.04 -47.81 81.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.224 179.538 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.04 -37.55 46.05 Favored 'General case' 0 CA--C 1.519 -0.22 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.445 ' HB3' ' CG1' ' C' ' 10' ' ' ILE . 14.0 ttmt -79.51 -35.6 39.85 Favored 'General case' 0 N--CA 1.445 -0.681 0 CA-C-N 115.195 -0.911 . . . . 0.0 108.918 177.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.98 HG23 ' O ' ' A' ' 52' ' ' VAL . 53.1 t -56.62 -55.69 18.14 Favored 'Isoleucine or valine' 0 C--O 1.231 0.117 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.019 178.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -32.31 70.66 Favored 'General case' 0 CA--C 1.521 -0.159 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 178.807 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.37 -33.7 74.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.513 -0.767 . . . . 0.0 109.369 178.304 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.906 HG22 ' HB2' ' C' ' 8' ' ' ASN . 0.2 OUTLIER -64.64 -24.13 67.48 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.247 179.034 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.687 HD13 ' HB2' ' A' ' 76' ' ' PHE . 2.8 mt -106.91 -9.89 16.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.431 -179.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -44.11 95.16 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.216 0 CA-C-O 120.903 0.382 . . . . 0.0 111.269 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.412 ' HB3' ' NE2' ' A' ' 71' ' ' GLN . 10.2 t-20 -71.22 -61.63 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.694 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.4 39.72 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.04 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.32 -56.64 0.87 Allowed Glycine 0 N--CA 1.449 -0.438 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.232 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.24 33.46 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.689 0.28 . . . . 0.0 111.651 179.604 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.06 2.88 59.27 Favored Glycine 0 CA--C 1.52 0.359 0 C-N-CA 120.843 -0.694 . . . . 0.0 113.952 178.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.561 ' HB3' ' HG3' ' A' ' 26' ' ' LYS . 0.1 OUTLIER -96.25 -176.81 3.77 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-N 117.447 0.624 . . . . 0.0 110.46 179.752 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.587 ' CB ' HD23 ' A' ' 32' ' ' LEU . 0.1 OUTLIER -112.53 86.64 2.4 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.444 -179.497 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.554 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 8.8 p-10 -85.66 -175.32 5.58 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.735 -0.469 . . . . 0.0 109.735 178.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.497 ' CE1' ' HA ' ' B' ' 86' ' ' GLU . 0.0 OUTLIER -61.06 -32.17 71.81 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.007 0.432 . . . . 0.0 110.758 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.423 ' HG2' ' HG2' ' A' ' 72' ' ' GLU . 8.7 pt20 -61.17 -36.12 78.97 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.02 -0.536 . . . . 0.0 111.067 -179.233 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.468 ' HB3' ' HB2' ' A' ' 60' ' ' LEU . 0.6 OUTLIER -76.74 -30.81 56.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.372 179.676 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.571 ' HD2' HD12 ' A' ' 10' ' ' LEU . 0.6 OUTLIER -51.86 -50.12 61.58 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.377 179.266 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.579 ' HG3' HG23 ' B' ' 82' ' ' THR . 10.1 mmm -65.63 -62.63 1.4 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.499 179.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.47 -27.91 2.98 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.035 0.445 . . . . 0.0 110.914 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.687 ' HB2' HD13 ' A' ' 60' ' ' LEU . 48.8 t80 -74.12 -74.85 0.17 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.945 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.518 HG23 ' HE2' ' B' ' 7' ' ' MET . 2.2 p -54.79 -31.22 23.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.815 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -70.96 -50.21 37.0 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.354 -0.839 . . . . 0.0 112.333 -179.113 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 25.8 mtm -74.54 -60.9 2.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.238 0.542 . . . . 0.0 111.134 -179.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.849 HG13 ' NE1' ' C' ' 7' ' ' TRP . 62.6 t -43.08 -46.93 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.436 -0.802 . . . . 0.0 112.087 -179.618 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.483 ' OG1' ' CB ' ' A' ' 85' ' ' HIS . 1.4 t -70.1 -48.38 57.84 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 116.169 -0.469 . . . . 0.0 112.153 -179.147 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.574 HG23 ' HG3' ' B' ' 74' ' ' MET . 1.2 p -51.19 -27.25 8.36 Favored 'General case' 0 N--CA 1.465 0.277 0 N-CA-C 112.369 0.507 . . . . 0.0 112.369 -178.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.959 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -82.44 -67.65 0.77 Allowed 'General case' 0 C--N 1.327 -0.376 0 N-CA-C 112.228 0.455 . . . . 0.0 112.228 -179.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 8.2 p -86.96 -51.25 6.14 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.453 0.538 . . . . 0.0 112.453 -178.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.483 ' CB ' ' OG1' ' A' ' 81' ' ' THR . 6.6 t60 -49.54 -23.45 1.63 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.063 0.459 . . . . 0.0 110.797 179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.5 ' HA ' ' CE1' ' B' ' 70' ' ' PHE . 30.5 tt0 -49.15 -64.63 0.75 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.416 179.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.73 -25.17 5.53 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.479 179.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -82.88 -15.12 52.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.536 179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.455 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 3.1 mt-10 59.65 169.1 0.07 Allowed 'General case' 0 C--O 1.231 0.117 0 CA-C-O 120.833 0.349 . . . . 0.0 110.886 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -59.31 -42.63 91.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.895 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.487 1.41 0 CA-C-O 120.778 0.323 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -56.16 -23.6 35.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.17 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.727 HD23 ' CE ' ' B' ' 7' ' ' MET . 1.3 tt -66.96 -49.95 63.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.968 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -74.68 -38.47 62.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.162 -179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 5.5 mtpp -67.27 -49.74 63.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.285 -179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.499 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -63.92 -51.98 61.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.556 -179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.727 ' CE ' HD23 ' B' ' 3' ' ' LEU . 7.4 ptp -50.87 -49.16 59.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.632 0.253 . . . . 0.0 110.775 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.57 HG23 ' HG3' ' B' ' 7' ' ' MET . 52.6 t -78.45 -23.53 13.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.508 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.499 ' HB3' ' HB2' ' A' ' 6' ' ' ALA . . . -58.12 -42.57 86.08 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.235 0.54 . . . . 0.0 109.784 179.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.577 HD12 ' HD2' ' B' ' 73' ' ' PHE . 1.5 pp -71.9 -40.41 68.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.79 179.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.705 HG12 ' O ' ' B' ' 7' ' ' MET . 2.9 mm -62.21 -43.54 98.03 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.426 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 178.511 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.11 -43.78 20.79 Favored 'General case' 0 CA--C 1.521 -0.146 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.796 179.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.594 HG12 ' HG ' ' B' ' 35' ' ' LEU . 38.6 t -57.08 -41.24 77.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.416 178.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.535 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -77.47 -27.97 52.18 Favored 'General case' 0 CA--C 1.531 0.215 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.631 179.574 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.665 ' CD2' HG22 ' B' ' 11' ' ' ILE . 24.3 m-70 -73.42 -24.37 60.25 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.464 -0.334 . . . . 0.0 111.343 -179.671 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -85.97 -52.12 5.92 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.702 -179.356 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.795 ' CG ' HD11 ' B' ' 35' ' ' LEU . 5.2 m-85 -83.78 -57.86 3.04 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 113.426 0.898 . . . . 0.0 113.426 -178.038 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' B' ' 14' ' ' PHE . 3.3 t -36.26 -33.92 0.05 Allowed 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -178.56 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -168.92 135.93 3.83 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.139 -1.029 . . . . 0.0 113.213 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 4.2 mtm180 -106.24 -39.4 5.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.945 0.402 . . . . 0.0 110.467 179.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -148.21 92.89 2.09 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.928 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.63 -147.21 16.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.599 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -56.56 -66.15 0.49 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.866 0.365 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 6.0 ttpm? 63.87 110.83 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.372 179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.441 ' O ' ' HB2' ' B' ' 69' ' ' ASP . 12.1 t-160 179.93 -34.99 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.977 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.546 ' HA ' ' HB3' ' B' ' 69' ' ' ASP . 0.1 OUTLIER -111.41 156.81 21.05 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.735 -179.528 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.711 HD23 ' HB3' ' B' ' 31' ' ' GLU . 4.8 mp -134.32 139.37 45.62 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.823 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.482 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 11.5 pttt -109.69 -178.4 3.53 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.256 0.55 . . . . 0.0 112.074 -178.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.531 ' HB2' ' HE2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -45.59 -33.78 3.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.29 -0.868 . . . . 0.0 111.553 -179.878 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -66.21 -61.87 1.79 Allowed 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.371 -179.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.807 ' O ' HD22 ' B' ' 35' ' ' LEU . 3.2 mp0 -65.88 -59.18 4.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.759 -179.355 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.716 HD12 ' CG1' ' B' ' 53' ' ' VAL . 0.9 OUTLIER -41.75 -70.28 0.11 Allowed 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.183 0.438 . . . . 0.0 112.183 -179.128 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.595 ' HD2' ' HB ' ' B' ' 53' ' ' VAL . 0.1 OUTLIER -53.32 -28.13 26.85 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.892 0.377 . . . . 0.0 111.346 -179.609 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.454 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 0.0 OUTLIER -60.5 -64.13 1.06 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.427 -0.351 . . . . 0.0 110.838 179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.807 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.3 mm? -46.57 -32.33 3.36 Favored 'General case' 0 CA--C 1.516 -0.347 0 CA-C-O 121.097 0.475 . . . . 0.0 111.213 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.961 HG23 HD12 ' B' ' 40' ' ' LEU . 1.4 mt -53.18 -64.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.677 179.31 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -80.62 -7.89 59.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.794 178.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.532 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 4.6 t30 -86.29 -32.64 20.97 Favored 'General case' 0 C--O 1.232 0.137 0 CA-C-N 116.534 -0.303 . . . . 0.0 111.672 -179.691 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -158.13 56.38 0.47 Allowed 'General case' 0 CA--C 1.532 0.259 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 -179.361 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.961 HD12 HG23 ' B' ' 36' ' ' ILE . 13.0 mt -119.86 57.25 0.93 Allowed 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 120.873 0.368 . . . . 0.0 110.646 178.176 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.74 80.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.056 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 77.5 t60 -178.65 -40.33 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.603 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -172.21 37.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.421 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.852 HD23 ' O ' ' B' ' 40' ' ' LEU . 0.1 OUTLIER -46.77 -80.24 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.371 -179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.16 26.73 1.55 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.847 0.356 . . . . 0.0 110.739 -179.628 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.616 ' O ' HG22 ' B' ' 47' ' ' ILE . 26.3 tt0 52.9 40.26 30.56 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.914 -179.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.706 ' HB ' HG21 ' B' ' 36' ' ' ILE . 0.6 OUTLIER 50.91 163.44 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.116 -179.814 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.843 ' HB2' HG11 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -53.62 -30.06 40.88 Favored 'General case' 0 C--O 1.231 0.112 0 O-C-N 122.049 -0.407 . . . . 0.0 111.582 -178.469 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.539 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.1 OUTLIER 170.28 178.41 0.05 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 121.107 0.479 . . . . 0.0 111.272 -179.781 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 46.1 mt-30 -76.94 -18.21 58.41 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.985 -0.552 . . . . 0.0 109.797 178.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -81.05 -40.13 24.68 Favored 'General case' 0 C--O 1.232 0.138 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.032 179.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 1.002 ' O ' HG23 ' B' ' 56' ' ' VAL . 26.0 m -62.41 -44.91 99.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 N-CA-C 109.816 -0.439 . . . . 0.0 109.816 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.716 ' CG1' HD12 ' B' ' 32' ' ' LEU . 54.9 t -66.9 -47.85 81.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.244 179.535 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -51.04 -37.51 45.79 Favored 'General case' 0 CA--C 1.519 -0.237 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 178.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.441 ' HB3' ' CG1' ' D' ' 10' ' ' ILE . 14.1 ttmt -79.52 -35.6 39.77 Favored 'General case' 0 N--CA 1.446 -0.651 0 CA-C-N 115.241 -0.891 . . . . 0.0 108.921 177.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 1.002 HG23 ' O ' ' B' ' 52' ' ' VAL . 52.9 t -56.49 -55.71 17.74 Favored 'Isoleucine or valine' 0 C--O 1.231 0.114 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.066 178.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.96 -32.3 70.68 Favored 'General case' 0 CA--C 1.523 -0.096 0 N-CA-C 109.197 -0.668 . . . . 0.0 109.197 178.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -68.34 -33.62 74.63 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 115.421 -0.809 . . . . 0.0 109.465 178.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.914 HG22 ' HB2' ' D' ' 8' ' ' ASN . 0.2 OUTLIER -64.66 -24.09 67.47 Favored 'General case' 0 C--N 1.333 -0.125 0 CA-C-N 115.677 -0.692 . . . . 0.0 110.269 178.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' B' ' 76' ' ' PHE . 2.8 mt -106.99 -9.93 16.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.367 -179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.1 t0 -44.09 95.08 0.01 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 120.912 0.387 . . . . 0.0 111.338 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.411 ' HB3' ' NE2' ' B' ' 71' ' ' GLN . 10.2 t-20 -71.18 -61.47 1.75 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.862 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.33 39.73 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.048 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -101.24 -56.5 0.87 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.55 -0.834 . . . . 0.0 112.254 179.698 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 175.2 33.28 0.0 OUTLIER 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 120.684 0.278 . . . . 0.0 111.7 179.713 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 73.08 2.95 59.49 Favored Glycine 0 CA--C 1.521 0.448 0 C-N-CA 120.866 -0.683 . . . . 0.0 113.839 179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.546 ' HB3' ' HG3' ' B' ' 26' ' ' LYS . 0.1 OUTLIER -96.19 -176.79 3.77 Favored 'General case' 0 N--CA 1.45 -0.428 0 CA-C-N 117.545 0.672 . . . . 0.0 110.411 179.764 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.585 ' CB ' HD23 ' B' ' 32' ' ' LEU . 0.1 OUTLIER -112.57 86.63 2.4 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.458 -179.612 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.546 ' HB3' ' HA ' ' B' ' 26' ' ' LYS . 8.9 p-10 -85.59 -175.34 5.6 Favored 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 178.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.5 ' CE1' ' HA ' ' A' ' 86' ' ' GLU . 0.0 OUTLIER -60.97 -32.25 71.8 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 120.997 0.427 . . . . 0.0 110.776 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.412 ' HG2' ' HG2' ' B' ' 72' ' ' GLU . 8.7 pt20 -61.1 -36.23 79.14 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.985 -179.209 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.497 ' HB3' ' HB2' ' B' ' 60' ' ' LEU . 0.6 OUTLIER -76.74 -30.83 56.76 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.315 179.746 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.577 ' HD2' HD12 ' B' ' 10' ' ' LEU . 0.6 OUTLIER -51.93 -50.06 61.89 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.397 179.29 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.574 ' HG3' HG23 ' A' ' 82' ' ' THR . 10.1 mmm -65.7 -62.56 1.44 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.506 179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -48.53 -27.91 3.04 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.953 0.406 . . . . 0.0 110.877 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.678 ' HB2' HD13 ' B' ' 60' ' ' LEU . 48.9 t80 -74.1 -74.9 0.17 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.957 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.473 HG23 ' HE2' ' A' ' 7' ' ' MET . 2.1 p -54.78 -31.11 23.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.907 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.692 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -71.01 -50.11 37.76 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.423 -179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.8 mtm -74.59 -60.91 2.06 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.162 0.506 . . . . 0.0 111.162 -179.149 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.841 HG13 ' NE1' ' D' ' 7' ' ' TRP . 63.1 t -43.08 -46.89 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 CA-C-N 115.385 -0.825 . . . . 0.0 112.123 -179.637 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.471 ' OG1' ' CB ' ' B' ' 85' ' ' HIS . 1.4 t -70.14 -48.23 58.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.108 -0.496 . . . . 0.0 112.197 -179.225 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.579 HG23 ' HG3' ' A' ' 74' ' ' MET . 1.2 p -51.34 -27.16 8.96 Favored 'General case' 0 N--CA 1.464 0.251 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -178.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.924 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -82.46 -67.67 0.77 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.191 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 8.3 p -86.92 -51.26 6.15 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 112.439 0.533 . . . . 0.0 112.439 -178.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.471 ' CB ' ' OG1' ' B' ' 81' ' ' THR . 6.6 t60 -49.6 -23.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.013 0.435 . . . . 0.0 110.72 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.497 ' HA ' ' CE1' ' A' ' 70' ' ' PHE . 30.5 tt0 -49.02 -64.77 0.71 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.411 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -120.66 -25.18 5.56 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.462 179.7 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -82.84 -15.16 52.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.458 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 3.1 mt-10 59.63 169.11 0.07 Allowed 'General case' 0 C--O 1.231 0.112 0 CA-C-O 120.83 0.347 . . . . 0.0 110.884 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -59.35 -42.57 91.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.249 1.077 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . 0.72 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 120.66 0.267 . . . . 0.0 111.337 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -57.71 -71.42 0.1 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.801 0.334 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.485 ' O ' HD13 ' C' ' 5' ' ' ILE . 66.9 p -98.41 -1.5 41.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.365 179.771 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.74 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -82.53 -2.02 52.3 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.471 -0.332 . . . . 0.0 110.923 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.74 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 47.2 10.03 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.482 0 C-N-CA 123.445 0.698 . . . . 0.0 112.81 -179.376 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.959 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 46.3 t0 53.59 17.4 1.17 Allowed 'General case' 0 CA--C 1.533 0.289 0 N-CA-C 113.866 1.061 . . . . 0.0 113.866 177.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.849 ' NE1' HG13 ' A' ' 80' ' ' VAL . 19.6 m95 -71.52 -69.85 0.36 Allowed 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 119.912 -0.715 . . . . 0.0 109.692 178.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.906 ' HB2' HG22 ' A' ' 59' ' ' THR . 6.7 m-20 146.86 -96.1 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.299 178.657 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.48 ' H ' HG23 ' A' ' 59' ' ' THR . 1.9 tmtt? -97.93 -44.2 6.78 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.341 0.867 . . . . 0.0 113.341 -178.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.676 HG23 HD12 ' C' ' 11' ' ' LEU . 0.1 OUTLIER -53.8 -58.83 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.284 0 N-CA-C 112.374 0.509 . . . . 0.0 112.374 -177.634 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.676 HD12 HG23 ' C' ' 10' ' ' ILE . 2.4 mp -93.44 -15.74 25.29 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.919 0.39 . . . . 0.0 110.645 179.736 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.505 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 49.1 p . . . . . 0 C--O 1.251 1.133 0 CA-C-O 118.208 -0.901 . . . . 0.0 111.212 179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . 0.717 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.357 0 CA-C-O 120.79 0.329 . . . . 0.0 111.335 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 1.5 mmt180 -57.65 -71.38 0.1 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.888 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . 0.488 ' O ' HD13 ' D' ' 5' ' ' ILE . 67.5 p -98.45 -1.54 41.12 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.345 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.752 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -82.53 -2.01 52.26 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.455 -0.339 . . . . 0.0 110.927 179.565 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.752 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 47.3 9.93 0.03 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 112.889 0.7 . . . . 0.0 112.889 -179.389 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.924 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 46.2 t0 53.63 17.29 1.16 Allowed 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 177.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.841 ' NE1' HG13 ' B' ' 80' ' ' VAL . 19.7 m95 -71.4 -69.9 0.35 Allowed 'General case' 0 N--CA 1.463 0.201 0 C-N-CA 119.936 -0.706 . . . . 0.0 109.806 178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.914 ' HB2' HG22 ' B' ' 59' ' ' THR . 6.6 m-20 146.88 -95.95 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.581 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.292 178.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . 0.495 ' H ' HG23 ' B' ' 59' ' ' THR . 1.9 tmtt? -97.99 -44.3 6.71 Favored 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 113.298 0.851 . . . . 0.0 113.298 -178.68 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.663 HG23 HD12 ' D' ' 11' ' ' LEU . 0.1 OUTLIER -53.78 -58.81 2.62 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 N-CA-C 112.379 0.511 . . . . 0.0 112.379 -177.613 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.663 HD12 HG23 ' D' ' 10' ' ' ILE . 2.4 mp -93.45 -15.62 25.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.892 0.377 . . . . 0.0 110.704 179.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.511 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 49.3 p . . . . . 0 C--O 1.249 1.037 0 CA-C-O 118.232 -0.89 . . . . 0.0 111.179 179.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.811 0.338 . . . . 0.0 111.227 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.452 ' HG2' ' N ' ' A' ' 3' ' ' LEU . 0.3 OUTLIER -60.43 -36.09 77.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.212 0.529 . . . . 0.0 110.861 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.452 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 3.9 mt -59.04 -25.07 63.39 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.45 -0.795 . . . . 0.0 111.124 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -81.06 -46.93 14.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.085 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -76.49 -42.92 41.75 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.104 -179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -61.28 -35.94 78.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.421 -0.354 . . . . 0.0 110.963 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.497 ' O ' HG12 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -61.91 -62.99 1.4 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.425 179.565 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.505 ' HA ' HG12 ' A' ' 11' ' ' ILE . 24.3 t -69.51 -22.09 25.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.751 -179.85 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -58.57 -43.34 89.35 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 121.397 0.617 . . . . 0.0 109.832 179.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.797 HD21 ' HE1' ' A' ' 74' ' ' MET . 1.1 pp -70.43 -38.16 74.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.512 -0.767 . . . . 0.0 109.646 179.106 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.696 HD12 ' CE1' ' A' ' 70' ' ' PHE . 5.3 mm -62.83 -41.29 92.0 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.21 -40.92 35.42 Favored 'General case' 0 CA--C 1.521 -0.138 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 178.82 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.419 HG12 ' HG ' ' A' ' 35' ' ' LEU . 29.9 t -57.57 -43.16 82.72 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 115.643 -0.708 . . . . 0.0 110.487 178.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.536 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -78.1 -37.29 46.75 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.368 179.474 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.495 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.3 OUTLIER -68.54 -16.2 63.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.235 179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.15 -51.86 6.73 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.903 0.382 . . . . 0.0 110.277 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.692 ' CD1' HD11 ' A' ' 35' ' ' LEU . 5.6 m-85 -83.49 -56.32 3.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.376 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.435 ' HB3' ' O ' ' A' ' 14' ' ' PHE . 8.5 t -56.36 -40.73 75.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.314 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.66 51.07 4.36 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.784 -0.722 . . . . 0.0 113.031 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -105.69 -56.8 2.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.869 0.366 . . . . 0.0 110.641 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -151.88 154.11 35.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.825 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.67 -139.73 14.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.624 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.44 -23.36 61.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.664 0.268 . . . . 0.0 111.163 -179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? 63.1 37.82 11.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.106 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.56 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 23.6 t-160 -155.13 41.75 0.44 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.914 179.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' A' ' 25' ' ' HIS . 0.1 OUTLIER -166.64 155.37 10.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.88 179.896 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.702 HD23 ' HB3' ' A' ' 31' ' ' GLU . 3.0 mp -136.75 138.98 41.52 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.59 179.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.48 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -112.5 -173.43 2.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.183 0.516 . . . . 0.0 112.274 -178.801 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.468 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -51.34 -24.94 5.19 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.428 -179.715 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 64.5 m -78.62 -55.89 4.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.943 0.401 . . . . 0.0 110.522 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.823 ' O ' HD22 ' A' ' 35' ' ' LEU . 0.8 OUTLIER -68.68 -59.97 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.973 -0.558 . . . . 0.0 111.124 -179.931 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' A' ' 68' ' ' CYS . 1.0 OUTLIER -43.34 -69.51 0.13 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.621 -179.582 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.76 ' HG3' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -48.61 -32.29 7.95 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-O 120.933 0.397 . . . . 0.0 111.157 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.477 ' HB2' ' O ' ' A' ' 31' ' ' GLU . 0.4 OUTLIER -63.17 -62.77 1.48 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.52 -179.44 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.3 mm? -46.95 -34.16 5.27 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.039 0.447 . . . . 0.0 111.169 -179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.51 HG23 ' HG ' ' A' ' 40' ' ' LEU . 1.4 mt -52.28 -66.68 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.76 0 CA-C-N 115.719 -0.673 . . . . 0.0 109.341 179.001 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -73.46 -17.04 61.28 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.574 178.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.457 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 16.0 t30 -71.63 -53.32 14.05 Favored 'General case' 0 N--CA 1.455 -0.175 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.576 179.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.409 ' HG2' ' C ' ' A' ' 38' ' ' ASN . 8.5 mm-40 -154.85 61.49 0.66 Allowed 'General case' 0 CA--C 1.53 0.207 0 N-CA-C 112.106 0.41 . . . . 0.0 112.106 -179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.51 ' HG ' HG23 ' A' ' 36' ' ' ILE . 0.2 OUTLIER -75.96 -81.74 0.08 Allowed 'General case' 0 C--N 1.332 -0.187 0 C-N-CA 120.781 -0.368 . . . . 0.0 110.553 179.204 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t 171.83 -72.72 0.0 OUTLIER 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.616 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.416 ' CE1' ' HB2' ' A' ' 43' ' ' PHE . 29.1 p80 -121.3 -48.68 2.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.739 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.462 ' O ' HD12 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -93.78 53.3 1.8 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.496 179.832 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.716 ' O ' HD12 ' A' ' 44' ' ' LEU . 3.9 pp -88.98 19.18 4.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.68 -179.63 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.86 57.54 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.921 0.391 . . . . 0.0 110.523 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.47 ' O ' ' O ' ' A' ' 47' ' ' ILE . 22.0 mt-10 55.67 43.16 28.53 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.704 -179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.805 HD13 HG13 ' A' ' 53' ' ' VAL . 7.9 tt 50.19 162.61 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.98 -0.555 . . . . 0.0 111.05 -179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.753 ' HB2' HG21 ' A' ' 52' ' ' VAL . 7.1 mtmm -43.35 -24.77 0.11 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 113.151 0.797 . . . . 0.0 113.151 -177.08 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.494 ' O ' HG22 ' A' ' 52' ' ' VAL . 2.5 mt-10 166.11 172.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.717 0.294 . . . . 0.0 110.734 -179.683 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.44 -21.34 62.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 120.894 0.378 . . . . 0.0 110.506 179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -80.1 -41.19 26.02 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.0 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.958 ' O ' HG23 ' A' ' 56' ' ' VAL . 13.7 m -63.65 -40.19 88.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.838 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.805 HG13 HD13 ' A' ' 47' ' ' ILE . 0.0 OUTLIER -65.49 -43.78 94.32 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.24 0 C-N-CA 120.874 -0.331 . . . . 0.0 110.872 -179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.31 -33.1 52.02 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.5 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -86.96 -30.11 21.54 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.27 -0.877 . . . . 0.0 109.249 178.133 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.958 HG23 ' O ' ' A' ' 52' ' ' VAL . 74.3 t -64.88 -51.35 67.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.123 0 N-CA-C 109.058 -0.719 . . . . 0.0 109.058 178.421 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.1 mtp -61.0 -44.99 96.62 Favored 'General case' 0 CA--C 1.521 -0.161 0 N-CA-C 108.781 -0.822 . . . . 0.0 108.781 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.87 -36.52 83.57 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 114.99 -1.005 . . . . 0.0 109.579 178.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.967 HG23 ' HB3' ' C' ' 8' ' ' ASN . 16.5 m -79.58 -15.73 57.14 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.147 -0.933 . . . . 0.0 109.959 179.113 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.806 HD12 HG12 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -91.86 -49.98 5.97 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.1 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -43.94 119.0 1.6 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.717 -179.437 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -90.45 -51.91 5.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.58 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 178.03 44.95 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.833 179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -98.78 -60.7 0.88 Allowed Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.054 179.597 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 45.0 p30 174.44 30.94 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.626 0.251 . . . . 0.0 111.314 179.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.07 -14.89 57.85 Favored Glycine 0 CA--C 1.52 0.368 0 C-N-CA 120.65 -0.786 . . . . 0.0 113.395 179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.48 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.4 OUTLIER -91.85 178.01 6.02 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 121.05 0.452 . . . . 0.0 110.585 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.669 ' HB3' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -117.98 86.2 2.48 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.406 179.684 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.555 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 6.0 p-10 -79.68 -168.87 1.72 Allowed 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.927 -0.309 . . . . 0.0 110.424 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.696 ' CE1' HD12 ' A' ' 11' ' ' ILE . 0.6 OUTLIER -63.0 -34.51 77.71 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.967 0.413 . . . . 0.0 110.588 179.853 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.15 -38.12 73.07 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.49 -179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.429 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 22.3 mm-40 -75.79 -24.46 55.97 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.669 -0.696 . . . . 0.0 110.423 179.434 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.654 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.0 OUTLIER -60.73 -65.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.728 179.607 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.797 ' HE1' HD21 ' A' ' 10' ' ' LEU . 0.0 OUTLIER -55.75 -44.79 77.95 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.749 -0.659 . . . . 0.0 111.279 -179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.478 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -59.34 -40.92 87.89 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.208 179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.733 ' HB2' HD21 ' A' ' 60' ' ' LEU . 51.4 t80 -65.23 -74.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.705 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.654 HG22 ' O ' ' A' ' 73' ' ' PHE . 3.4 m -44.03 -31.49 0.66 Allowed 'Isoleucine or valine' 0 CA--C 1.522 -0.129 0 CA-C-O 121.245 0.545 . . . . 0.0 110.65 -179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.476 ' HA ' ' HB3' ' B' ' 74' ' ' MET . . . -85.31 -33.43 22.1 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.486 -0.779 . . . . 0.0 112.145 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.506 ' HG3' ' N ' ' A' ' 80' ' ' VAL . 0.0 OUTLIER -85.68 -39.46 17.22 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.13 0.49 . . . . 0.0 111.456 -179.435 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.802 HG13 ' NE1' ' C' ' 7' ' ' TRP . 27.2 t -68.54 -49.76 62.36 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.804 -0.634 . . . . 0.0 111.659 -179.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.488 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 0.3 OUTLIER -71.54 -51.02 25.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.619 -0.264 . . . . 0.0 111.1 -179.844 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.551 ' HA ' ' CZ ' ' B' ' 70' ' ' PHE . 35.1 m -47.97 -30.14 4.02 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.679 0.276 . . . . 0.0 110.935 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.27 -72.42 0.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.761 0.315 . . . . 0.0 111.315 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 10.9 p -87.78 -49.19 7.28 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -179.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.488 ' HB3' ' O ' ' A' ' 81' ' ' THR . 35.5 t60 -47.34 -24.03 0.69 Allowed 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 120.88 0.372 . . . . 0.0 110.992 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.496 ' HA ' ' CE2' ' B' ' 70' ' ' PHE . 27.9 tt0 -50.82 -65.29 0.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.758 -179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -121.89 -18.52 7.0 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.725 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.468 ' CZ ' ' HB ' ' C' ' 3' ' ' THR . 21.9 m-85 -91.64 -12.33 34.5 Favored 'General case' 0 N--CA 1.455 -0.195 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.691 179.061 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.447 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 1.9 mt-10 59.26 -176.31 0.09 Allowed 'General case' 0 C--O 1.231 0.095 0 CA-C-O 120.753 0.311 . . . . 0.0 110.904 179.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -51.1 2.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.884 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 24.7 tt0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.924 179.952 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 1.5 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.91 0.386 . . . . 0.0 111.226 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.424 ' HG2' ' N ' ' B' ' 3' ' ' LEU . 0.3 OUTLIER -60.46 -35.94 77.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.267 0.555 . . . . 0.0 110.904 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.424 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 3.9 mt -59.08 -25.19 63.57 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.106 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -81.05 -46.9 14.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.011 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -76.52 -42.94 41.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.091 -179.79 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.539 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -61.26 -35.93 78.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.865 0.364 . . . . 0.0 110.989 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.5 ' O ' HG12 ' B' ' 11' ' ' ILE . 1.0 OUTLIER -61.98 -62.95 1.42 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.425 179.571 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.49 ' HA ' HG12 ' B' ' 11' ' ' ILE . 23.9 t -69.5 -22.08 25.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.769 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.512 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -58.66 -43.19 89.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.397 0.618 . . . . 0.0 109.847 179.314 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.714 HD21 ' CE ' ' B' ' 74' ' ' MET . 1.1 pp -70.52 -38.22 74.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.644 179.064 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.69 HD12 ' CE1' ' B' ' 70' ' ' PHE . 5.3 mm -62.65 -41.5 92.46 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.672 0 N-CA-C 109.597 -0.52 . . . . 0.0 109.597 178.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -49.01 -40.98 33.06 Favored 'General case' 0 C--N 1.333 -0.143 0 N-CA-C 109.403 -0.592 . . . . 0.0 109.403 178.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.413 HG12 ' HG ' ' B' ' 35' ' ' LEU . 30.1 t -57.61 -43.12 82.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.512 178.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.536 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -78.17 -37.29 46.15 Favored 'General case' 0 N--CA 1.465 0.314 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.284 179.469 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.49 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.3 OUTLIER -68.55 -16.21 63.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.193 179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -84.15 -51.83 6.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.877 0.37 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.694 ' CD1' HD11 ' B' ' 35' ' ' LEU . 5.6 m-85 -83.58 -56.4 3.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.329 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.446 ' HB3' ' O ' ' B' ' 14' ' ' PHE . 8.5 t -56.27 -40.8 74.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.289 -179.552 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.7 51.7 4.46 Favored Glycine 0 CA--C 1.518 0.224 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.875 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -106.4 -56.61 2.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.919 0.39 . . . . 0.0 110.654 179.697 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.1 153.84 34.72 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.837 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 91.79 -139.79 14.89 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.607 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.41 -23.28 61.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.638 0.256 . . . . 0.0 111.23 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 3.2 mtmp? 63.07 37.73 11.36 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.113 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.56 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 23.6 t-160 -155.1 41.79 0.44 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.886 179.674 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.56 ' HG2' ' O ' ' B' ' 25' ' ' HIS . 0.1 OUTLIER -166.6 155.38 10.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.909 179.855 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.686 HD23 ' HB3' ' B' ' 31' ' ' GLU . 2.9 mp -136.69 139.06 41.69 Favored 'General case' 0 C--N 1.327 -0.385 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.562 179.317 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.463 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.0 OUTLIER -112.6 -173.51 2.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.22 0.533 . . . . 0.0 112.219 -178.847 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.477 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -51.11 -25.11 4.66 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.506 -0.77 . . . . 0.0 111.481 -179.794 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 62.8 m -78.46 -55.99 4.79 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.987 0.422 . . . . 0.0 110.587 179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.814 ' O ' HD22 ' B' ' 35' ' ' LEU . 0.8 OUTLIER -68.62 -60.03 2.7 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.096 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.669 HD23 ' HB3' ' B' ' 68' ' ' CYS . 1.0 OUTLIER -43.26 -69.5 0.13 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.686 -179.546 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.746 ' HG3' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -48.57 -32.46 8.11 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-O 120.845 0.355 . . . . 0.0 111.074 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.46 ' HB2' ' O ' ' B' ' 31' ' ' GLU . 0.5 OUTLIER -63.04 -62.85 1.43 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.5 -179.402 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.814 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.3 mm? -46.88 -34.26 5.26 Favored 'General case' 0 CA--C 1.516 -0.357 0 CA-C-O 121.087 0.47 . . . . 0.0 111.209 -179.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.492 HG23 ' HG ' ' B' ' 40' ' ' LEU . 1.4 mt -52.18 -66.69 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.686 -0.688 . . . . 0.0 109.392 178.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 19.6 t-20 -73.47 -17.01 61.28 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.624 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.451 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 16.0 t30 -71.71 -53.24 14.12 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.576 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.403 ' HG2' ' C ' ' B' ' 38' ' ' ASN . 8.6 mm-40 -154.79 61.43 0.66 Allowed 'General case' 0 C--O 1.232 0.152 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.492 ' HG ' HG23 ' B' ' 36' ' ' ILE . 0.2 OUTLIER -75.95 -81.67 0.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 C-N-CA 120.766 -0.374 . . . . 0.0 110.604 179.214 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 9.9 t 171.85 -72.73 0.0 OUTLIER 'General case' 0 C--N 1.333 -0.128 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.594 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.418 ' CE1' ' HB2' ' B' ' 43' ' ' PHE . 29.2 p80 -121.33 -48.67 2.19 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.742 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.466 ' O ' HD12 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -93.73 53.3 1.81 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.063 0.458 . . . . 0.0 110.516 179.746 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.707 ' O ' HD12 ' B' ' 44' ' ' LEU . 3.9 pp -89.09 19.31 4.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.957 -0.565 . . . . 0.0 111.65 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -79.87 57.58 2.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.938 0.399 . . . . 0.0 110.458 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.489 ' O ' ' O ' ' B' ' 47' ' ' ILE . 21.9 mt-10 55.66 43.19 28.52 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.646 -179.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.798 HD13 HG13 ' B' ' 53' ' ' VAL . 7.9 tt 50.17 162.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.585 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.019 -179.613 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.761 ' HB2' HG21 ' B' ' 52' ' ' VAL . 7.1 mtmm -43.39 -24.75 0.11 Allowed 'General case' 0 N--CA 1.469 0.491 0 N-CA-C 113.167 0.803 . . . . 0.0 113.167 -177.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.497 ' O ' HG22 ' B' ' 52' ' ' VAL . 2.5 mt-10 166.1 172.28 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.769 0.319 . . . . 0.0 110.665 -179.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -70.49 -21.24 62.78 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.534 179.154 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -80.21 -41.19 25.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.968 179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.95 ' O ' HG23 ' B' ' 56' ' ' VAL . 13.6 m -63.67 -40.13 87.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.874 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.798 HG13 HD13 ' B' ' 47' ' ' ILE . 0.0 OUTLIER -65.46 -43.87 94.41 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.186 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.842 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -53.29 -33.03 51.57 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 178.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.507 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -87.06 -30.14 21.38 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.29 -0.868 . . . . 0.0 109.233 178.103 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.95 HG23 ' O ' ' B' ' 52' ' ' VAL . 75.0 t -64.75 -51.46 66.94 Favored 'Isoleucine or valine' 0 CA--C 1.522 -0.115 0 N-CA-C 109.071 -0.715 . . . . 0.0 109.071 178.374 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . . . . . . . . . 26.0 mtp -60.88 -45.04 96.14 Favored 'General case' 0 CA--C 1.52 -0.19 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.241 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -62.73 -36.69 83.82 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 114.933 -1.03 . . . . 0.0 109.562 178.444 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.949 HG23 ' CB ' ' D' ' 8' ' ' ASN . 16.5 m -79.47 -15.78 57.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.149 -0.932 . . . . 0.0 109.923 179.172 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.797 HD12 HG12 ' B' ' 56' ' ' VAL . 0.3 OUTLIER -91.89 -49.99 5.95 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.057 -179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -43.95 119.02 1.6 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.689 -179.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -90.46 -51.83 5.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.648 179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 177.99 44.97 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.877 179.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.4 ' HA3' ' HZ1' ' B' ' 26' ' ' LYS . . . -98.85 -60.71 0.88 Allowed Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.043 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 44.9 p30 174.43 31.04 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.544 0.211 . . . . 0.0 111.18 179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 88.11 -14.96 57.72 Favored Glycine 0 CA--C 1.52 0.352 0 C-N-CA 120.588 -0.815 . . . . 0.0 113.314 179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.463 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.4 OUTLIER -91.86 178.08 6.0 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 117.126 0.463 . . . . 0.0 110.626 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.669 ' HB3' HD23 ' B' ' 32' ' ' LEU . 0.5 OUTLIER -118.06 86.13 2.47 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.387 179.697 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.558 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 6.0 p-10 -79.57 -168.84 1.69 Allowed 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.956 -0.297 . . . . 0.0 110.444 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.69 ' CE1' HD12 ' B' ' 11' ' ' ILE . 0.6 OUTLIER -63.04 -34.5 77.71 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 120.914 0.388 . . . . 0.0 110.572 179.8 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -57.22 -38.17 73.35 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.414 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.433 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 22.3 mm-40 -75.77 -24.35 56.0 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.712 -0.677 . . . . 0.0 110.362 179.459 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.0 OUTLIER -60.84 -65.47 0.69 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.745 179.625 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.714 ' CE ' HD21 ' B' ' 10' ' ' LEU . 0.0 OUTLIER -55.72 -44.78 77.81 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.252 -179.697 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -59.47 -40.88 88.34 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.864 0.364 . . . . 0.0 110.182 179.68 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.743 ' HB2' HD21 ' B' ' 60' ' ' LEU . 51.5 t80 -65.26 -74.76 0.1 Allowed 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.65 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 73' ' ' PHE . 3.4 m -44.1 -31.44 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.141 0 CA-C-O 121.194 0.521 . . . . 0.0 110.579 -179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.462 ' HA ' ' HB3' ' A' ' 74' ' ' MET . . . -85.3 -33.45 22.12 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.525 -0.762 . . . . 0.0 112.159 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.514 ' HG3' ' N ' ' B' ' 80' ' ' VAL . 0.0 OUTLIER -85.77 -39.41 17.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.083 0.468 . . . . 0.0 111.361 -179.36 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.803 HG13 ' NE1' ' D' ' 7' ' ' TRP . 27.9 t -68.61 -49.7 62.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.855 -0.612 . . . . 0.0 111.619 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.485 ' O ' ' HB3' ' B' ' 85' ' ' HIS . 0.3 OUTLIER -71.53 -50.99 25.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.054 -179.808 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.552 ' HA ' ' CZ ' ' A' ' 70' ' ' PHE . 36.0 m -48.07 -30.0 4.05 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-O 120.717 0.294 . . . . 0.0 111.032 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -71.46 -72.32 0.22 Allowed 'General case' 0 C--N 1.327 -0.377 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.27 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 10.8 p -87.88 -49.16 7.27 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.378 0.51 . . . . 0.0 112.378 -179.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.485 ' HB3' ' O ' ' B' ' 81' ' ' THR . 35.7 t60 -47.3 -23.98 0.67 Allowed 'General case' 0 N--CA 1.465 0.284 0 CA-C-O 120.925 0.393 . . . . 0.0 111.031 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.496 ' HA ' ' CE2' ' A' ' 70' ' ' PHE . 27.9 tt0 -50.92 -65.13 0.61 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.814 -179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -122.01 -18.48 6.95 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.705 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.471 ' CZ ' ' HB ' ' D' ' 3' ' ' THR . 21.9 m-85 -91.64 -12.36 34.41 Favored 'General case' 0 N--CA 1.455 -0.223 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.683 179.078 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.454 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 1.9 mt-10 59.26 -176.34 0.09 Allowed 'General case' 0 CA--C 1.526 0.034 0 CA-C-O 120.859 0.362 . . . . 0.0 110.838 179.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -118.13 -51.03 2.45 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.849 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.245 -0.883 . . . . 0.0 110.866 179.962 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . 0.45 HG22 ' CG ' ' C' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.365 0 CA-C-O 120.772 0.32 . . . . 0.0 111.209 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -56.82 -71.15 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.698 179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.468 ' HB ' ' CZ ' ' A' ' 88' ' ' PHE . 3.9 t -98.32 -3.33 37.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.451 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.762 ' O ' HD12 ' C' ' 5' ' ' ILE . 4.8 tmtt? -80.55 -1.51 42.28 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.595 -0.275 . . . . 0.0 111.075 179.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.958 HD13 ' CD1' ' C' ' 7' ' ' TRP . 1.8 pp 55.09 -8.02 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.549 0 N-CA-C 113.584 0.957 . . . . 0.0 113.584 -179.157 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' C' ' 4' ' ' LYS . 13.3 t0 39.94 57.23 2.35 Favored 'General case' 0 CA--C 1.533 0.292 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 178.624 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.958 ' CD1' HD13 ' C' ' 5' ' ' ILE . 8.6 m95 -93.86 -69.07 0.77 Allowed 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 108.959 -0.756 . . . . 0.0 108.959 178.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.967 ' HB3' HG23 ' A' ' 59' ' ' THR . 18.3 t-20 165.15 -103.26 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.059 -0.973 . . . . 0.0 110.05 178.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.93 -34.18 10.55 Favored 'General case' 0 CA--C 1.532 0.279 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 -179.65 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.862 HG23 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.47 -60.04 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.317 0 N-CA-C 112.443 0.535 . . . . 0.0 112.443 -177.925 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.862 HD12 HG23 ' C' ' 10' ' ' ILE . 1.0 OUTLIER -95.31 -22.84 17.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.164 0.507 . . . . 0.0 110.11 179.441 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.487 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 20.7 p . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.181 -0.914 . . . . 0.0 111.023 179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . 0.441 HG22 ' CG ' ' D' ' 6' ' ' ASP . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.344 0 CA-C-O 120.741 0.305 . . . . 0.0 111.179 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 2.0 mtt85 -56.67 -71.17 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.757 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . 0.471 ' HB ' ' CZ ' ' B' ' 88' ' ' PHE . 3.9 t -98.36 -3.31 37.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.41 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.774 ' O ' HD12 ' D' ' 5' ' ' ILE . 4.8 tmtt? -80.52 -1.59 42.52 Favored 'General case' 0 C--O 1.223 -0.295 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.032 179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.948 HD13 ' CD1' ' D' ' 7' ' ' TRP . 1.8 pp 55.12 -8.07 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.588 0 N-CA-C 113.599 0.963 . . . . 0.0 113.599 -179.097 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.535 ' H ' ' C ' ' D' ' 4' ' ' LYS . 13.4 t0 40.03 57.22 2.4 Favored 'General case' 0 CA--C 1.533 0.316 0 N-CA-C 112.97 0.729 . . . . 0.0 112.97 178.612 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.948 ' CD1' HD13 ' D' ' 5' ' ' ILE . 8.6 m95 -93.85 -69.06 0.77 Allowed 'General case' 0 C--N 1.332 -0.164 0 N-CA-C 109.039 -0.726 . . . . 0.0 109.039 178.071 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.949 ' CB ' HG23 ' B' ' 59' ' ' THR . 18.3 t-20 165.18 -103.35 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.377 0 CA-C-N 115.042 -0.981 . . . . 0.0 109.95 178.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -98.76 -34.21 10.6 Favored 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.891 HG23 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.47 -59.99 1.8 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.348 0 N-CA-C 112.409 0.522 . . . . 0.0 112.409 -177.89 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.891 HD12 HG23 ' D' ' 10' ' ' ILE . 1.0 OUTLIER -95.38 -22.83 17.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.184 0.516 . . . . 0.0 110.099 179.555 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.486 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 20.4 p . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.289 -0.862 . . . . 0.0 111.065 179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.768 0.318 . . . . 0.0 111.483 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.702 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.7 OUTLIER -55.67 -37.3 68.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.144 0.497 . . . . 0.0 111.037 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.465 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 2.0 mp -53.68 -36.58 62.31 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.974 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.83 -35.45 67.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.749 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -77.23 -37.64 52.84 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.747 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.64 -35.28 80.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.96 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.554 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -67.2 -50.56 60.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.693 179.745 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.573 ' HA ' HG13 ' A' ' 11' ' ' ILE . 22.0 t -76.22 -27.39 17.74 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.691 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.731 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -56.96 -42.46 80.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 121.639 0.733 . . . . 0.0 109.27 179.118 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mt -63.93 -53.4 50.97 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 114.972 -1.013 . . . . 0.0 109.325 178.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.623 HD11 ' CE1' ' B' ' 85' ' ' HIS . 1.4 mt -51.53 -53.61 15.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.98 179.444 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.436 ' OD2' HG12 ' A' ' 8' ' ' VAL . 0.7 OUTLIER -42.42 -37.64 1.65 Allowed 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 121.051 0.453 . . . . 0.0 110.358 179.729 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.729 HG12 HD11 ' A' ' 35' ' ' LEU . 38.4 t -67.44 -48.28 77.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.539 179.52 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.607 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -76.15 -25.99 55.83 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-O 120.775 0.322 . . . . 0.0 111.115 -179.775 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -81.01 -18.17 47.75 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.17 -179.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.6 mm-40 -83.59 -41.57 17.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.764 0.316 . . . . 0.0 110.307 179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.469 ' CE1' ' HG ' ' A' ' 35' ' ' LEU . 2.0 m-85 -83.07 -70.15 0.58 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.155 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.531 ' HB2' ' HG ' ' A' ' 27' ' ' LEU . 1.2 t -59.49 125.73 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.951 0.405 . . . . 0.0 110.923 -179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.84 -28.8 3.49 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.85 -0.691 . . . . 0.0 112.369 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -67.51 -40.18 85.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.78 0.324 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.5 -67.6 0.43 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.856 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.73 -41.46 0.3 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.495 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.2 -49.41 77.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 0.0 110.905 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' ' HB3' ' A' ' 25' ' ' HIS . 1.1 tmtp? 60.39 157.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.832 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.447 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 12.8 t-160 83.48 -36.03 0.07 Allowed 'General case' 0 N--CA 1.466 0.329 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.509 -179.701 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.708 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.98 163.67 13.59 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.81 0.338 . . . . 0.0 110.391 -179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.531 ' HG ' ' HB2' ' A' ' 18' ' ' SER . 4.9 mp -136.31 141.08 43.77 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.549 -179.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.431 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 0.2 OUTLIER -102.64 174.36 5.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.959 0.409 . . . . 0.0 111.617 -179.225 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 2.2 mttt -48.76 -27.83 3.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.756 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.423 ' O ' ' CG ' ' A' ' 34' ' ' GLU . 1.9 m -79.57 -47.9 14.71 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.733 179.646 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.504 ' HB3' HD23 ' A' ' 27' ' ' LEU . 5.9 mm-40 -62.74 -68.38 0.34 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.792 0.33 . . . . 0.0 111.314 -179.8 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.96 -68.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.893 -179.411 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.913 ' HG3' HG11 ' A' ' 53' ' ' VAL . 12.6 ttmt -44.98 -66.41 0.4 Allowed 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 116.31 -0.405 . . . . 0.0 111.926 -179.317 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' CG ' ' O ' ' A' ' 30' ' ' SER . 11.9 mm-40 -46.74 -43.12 17.76 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.864 0.364 . . . . 0.0 110.933 -179.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.729 HD11 HG12 ' A' ' 13' ' ' VAL . 1.2 tt -60.38 -45.45 93.49 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.275 0.56 . . . . 0.0 110.378 179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.103 HD13 HD12 ' A' ' 47' ' ' ILE . 0.9 OUTLIER -54.7 -58.16 4.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.73 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.084 179.624 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.421 ' N ' HG22 ' A' ' 36' ' ' ILE . 2.9 t-20 -61.03 -20.11 62.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.239 178.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . . . . . . . . . 5.6 t30 -82.92 -34.21 26.64 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.028 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -114.49 21.34 14.65 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.639 -179.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.706 HD12 HG23 ' A' ' 36' ' ' ILE . 28.0 mt -149.72 -73.38 0.17 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.723 0.297 . . . . 0.0 110.837 179.627 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.44 -81.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.99 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.591 ' O ' HD23 ' A' ' 44' ' ' LEU . 1.8 m-70 -74.9 -32.73 61.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 0.0 110.73 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -83.6 58.86 4.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.687 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.591 HD23 ' O ' ' A' ' 42' ' ' HIS . 0.4 OUTLIER -87.72 85.83 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.824 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -97.05 -31.24 12.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.052 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 18.0 mp0 -113.82 1.34 14.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.73 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.103 HD12 HD13 ' A' ' 36' ' ' ILE . 0.0 OUTLIER -133.0 77.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.798 0.332 . . . . 0.0 111.278 179.762 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -82.76 2.58 33.24 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.728 179.24 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.689 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.5 OUTLIER -177.15 173.97 1.73 Allowed 'General case' 0 C--N 1.333 -0.124 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.468 179.864 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.41 -34.81 58.8 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.994 0.425 . . . . 0.0 110.667 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.27 -41.85 80.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.276 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.941 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.2 m -61.19 -44.74 98.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.159 -179.828 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.073 HG22 HG22 ' A' ' 47' ' ' ILE . 2.0 t -52.8 -49.01 49.12 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-O 120.8 0.333 . . . . 0.0 110.667 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -52.05 -48.36 64.62 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.092 179.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.411 ' HB3' HG12 ' C' ' 10' ' ' ILE . 22.9 ttmt -68.76 -31.84 71.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.99 -0.55 . . . . 0.0 109.719 178.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 52' ' ' VAL . 93.1 t -63.64 -59.13 4.79 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.17 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.935 179.029 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.411 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -57.66 -24.02 54.45 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.015 0.436 . . . . 0.0 110.001 178.826 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.92 -37.83 28.92 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.402 179.416 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.678 HG23 ' H ' ' C' ' 9' ' ' LYS . 26.2 m -74.06 -7.36 52.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.089 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.568 HD11 HG12 ' A' ' 56' ' ' VAL . 1.5 mt -113.0 -12.55 13.21 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 -179.453 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.74 125.83 10.83 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 120.733 0.302 . . . . 0.0 110.594 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.28 -51.66 2.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.252 -179.492 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.95 44.72 0.58 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.905 0.383 . . . . 0.0 111.148 -179.72 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.416 ' HA2' ' HD3' ' A' ' 26' ' ' LYS . . . -114.95 7.66 21.62 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.575 -0.822 . . . . 0.0 112.366 179.506 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.56 24.59 13.35 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.926 0.393 . . . . 0.0 110.481 -179.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.88 -20.2 5.74 Favored Glycine 0 N--CA 1.448 -0.558 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.356 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.0 OUTLIER -90.93 -179.83 5.58 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-O 121.023 0.439 . . . . 0.0 110.456 179.692 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.45 ' CB ' ' HG2' ' A' ' 72' ' ' GLU . 1.7 m -120.92 104.44 9.84 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.612 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.708 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -94.68 -176.97 4.05 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.702 -0.481 . . . . 0.0 109.702 179.322 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.543 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 29.9 t80 -58.94 -18.97 38.55 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.243 0.545 . . . . 0.0 110.494 179.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.5 mt-30 -63.91 -41.57 97.64 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.73 179.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 69' ' ' ASP . 1.5 pp20? -78.2 -21.06 50.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.414 179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.84 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.1 OUTLIER -55.78 -51.84 66.03 Favored 'General case' 0 CA--C 1.519 -0.234 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 178.587 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.461 ' HB3' ' CB ' ' B' ' 78' ' ' ALA . 21.0 mmt -63.48 -53.39 52.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.284 -0.871 . . . . 0.0 110.1 179.193 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.23 -33.45 65.41 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.67 179.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.496 ' HA ' HD22 ' A' ' 60' ' ' LEU . 57.7 t80 -65.85 -75.26 0.09 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.454 179.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.84 HG22 ' O ' ' A' ' 73' ' ' PHE . 0.9 OUTLIER -52.26 -26.01 8.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 115.794 -0.639 . . . . 0.0 111.039 179.773 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' B' ' 74' ' ' MET . . . -82.59 -46.36 13.42 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.793 0.664 . . . . 0.0 112.793 -179.01 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 27.9 mtm -70.62 -54.0 13.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.183 0.516 . . . . 0.0 110.575 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.65 HG22 ' CD2' ' C' ' 7' ' ' TRP . 85.7 t -56.04 -42.06 70.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 115.532 -0.758 . . . . 0.0 110.985 179.595 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.767 HG23 ' CG ' ' A' ' 85' ' ' HIS . 3.4 m -65.97 -60.96 2.33 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.601 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 7.2 p -42.94 -29.31 0.32 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.877 -0.602 . . . . 0.0 112.599 -178.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.446 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -77.4 -72.28 0.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.409 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.525 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 4.5 p -89.38 -56.01 3.43 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.677 0.621 . . . . 0.0 112.677 -179.191 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.767 ' CG ' HG23 ' A' ' 81' ' ' THR . 6.5 t60 -43.4 -26.35 0.19 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.118 0.485 . . . . 0.0 110.957 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -49.73 -64.08 0.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.553 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.15 -26.36 8.47 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.788 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.525 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 0.8 OUTLIER -67.33 -21.18 65.67 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.561 179.463 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.51 ' HB2' ' HA ' ' A' ' 85' ' ' HIS . 25.5 tp10 -104.46 92.57 4.37 Favored 'General case' 0 C--O 1.231 0.105 0 CA-C-O 120.878 0.37 . . . . 0.0 110.9 179.463 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.53 -56.29 2.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.899 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.248 0.994 0 CA-C-O 118.281 -0.866 . . . . 0.0 110.845 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 54.3 p . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.725 0.298 . . . . 0.0 111.368 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.731 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.7 OUTLIER -55.66 -37.23 68.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.06 0.457 . . . . 0.0 111.044 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.463 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 2.0 mp -53.7 -36.6 62.38 Favored 'General case' 0 C--N 1.322 -0.587 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.898 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -72.81 -35.49 67.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.734 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 9.7 mtpt -77.25 -37.69 52.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.782 179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.22 80.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.028 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.551 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -67.17 -50.77 59.88 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.617 179.722 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.568 ' HA ' HG13 ' B' ' 11' ' ' ILE . 22.0 t -76.13 -27.37 17.9 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.691 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -56.92 -42.42 79.96 Favored 'General case' 0 C--O 1.236 0.348 0 CA-C-O 121.61 0.719 . . . . 0.0 109.246 179.066 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 4.0 mt -64.12 -53.25 52.45 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 114.982 -1.008 . . . . 0.0 109.29 178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.632 HD11 ' CE1' ' A' ' 85' ' ' HIS . 1.4 mt -51.53 -53.71 15.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 115.527 -0.761 . . . . 0.0 110.968 179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.427 ' OD2' HG12 ' B' ' 8' ' ' VAL . 0.7 OUTLIER -42.31 -37.72 1.61 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.055 0.455 . . . . 0.0 110.327 179.713 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.751 HG12 HD11 ' B' ' 35' ' ' LEU . 38.3 t -67.52 -48.14 77.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.517 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.61 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -76.29 -25.94 55.37 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-O 120.753 0.311 . . . . 0.0 111.097 -179.786 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.426 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -81.02 -18.16 47.76 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.208 -179.784 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.5 mm-40 -83.62 -41.52 17.73 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.871 0.367 . . . . 0.0 110.352 179.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.463 ' CE1' ' HG ' ' B' ' 35' ' ' LEU . 2.0 m-85 -83.12 -70.08 0.58 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.048 -0.523 . . . . 0.0 111.17 179.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.53 ' HB2' ' HG ' ' B' ' 27' ' ' LEU . 1.2 t -59.53 125.75 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.984 0.421 . . . . 0.0 110.968 -179.787 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 131.8 -28.74 3.5 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.44 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -67.48 -40.13 85.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.887 0.375 . . . . 0.0 110.962 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -65.54 -67.56 0.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.66 -41.47 0.3 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.505 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.2 -49.34 77.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 0.0 110.93 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' B' ' 25' ' ' HIS . 1.1 tmtp? 60.25 157.37 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.831 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.45 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 12.8 t-160 83.5 -36.02 0.07 Allowed 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.517 -179.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.69 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.0 163.67 13.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.831 0.348 . . . . 0.0 110.341 -179.838 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.53 ' HG ' ' HB2' ' B' ' 18' ' ' SER . 4.9 mp -136.26 141.18 43.88 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.528 -179.469 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.457 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 0.2 OUTLIER -102.79 174.3 5.94 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.958 0.409 . . . . 0.0 111.567 -179.203 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.411 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 2.2 mttt -48.62 -27.82 3.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.806 179.868 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.417 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 1.9 m -79.6 -47.93 14.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.723 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.501 ' HB3' HD23 ' B' ' 27' ' ' LEU . 5.9 mm-40 -62.78 -68.41 0.34 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.768 0.318 . . . . 0.0 111.273 -179.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . . . . . . . . . 9.4 tt -49.92 -68.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.879 -179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.892 ' HG3' HG11 ' B' ' 53' ' ' VAL . 12.7 ttmt -44.98 -66.3 0.42 Allowed 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.921 -179.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.417 ' HB2' ' O ' ' B' ' 30' ' ' SER . 12.0 mm-40 -46.89 -43.0 18.43 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.887 0.375 . . . . 0.0 110.949 -179.717 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.751 HD11 HG12 ' B' ' 13' ' ' VAL . 1.2 tt -60.47 -45.41 93.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.353 0.597 . . . . 0.0 110.387 179.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 1.08 HD13 HD12 ' B' ' 47' ' ' ILE . 0.9 OUTLIER -54.69 -58.24 4.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.224 -0.898 . . . . 0.0 110.055 179.572 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.439 ' N ' HG22 ' B' ' 36' ' ' ILE . 2.9 t-20 -61.03 -19.98 62.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.306 178.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 5.7 t30 -82.99 -34.11 26.44 Favored 'General case' 0 N--CA 1.455 -0.191 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.034 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.58 21.36 14.58 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.633 -179.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.701 HD12 HG23 ' B' ' 36' ' ' ILE . 27.8 mt -149.75 -73.44 0.17 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.76 0.314 . . . . 0.0 110.84 179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 62.57 -81.22 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.948 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.601 ' O ' HD23 ' B' ' 44' ' ' LEU . 1.8 m-70 -74.77 -32.75 62.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.875 0.369 . . . . 0.0 110.782 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -83.54 58.9 4.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.714 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.601 HD23 ' O ' ' B' ' 42' ' ' HIS . 0.4 OUTLIER -87.72 85.95 7.12 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.769 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -97.21 -31.36 12.48 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.918 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 17.9 mp0 -113.73 1.35 14.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.746 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 1.08 HD12 HD13 ' B' ' 36' ' ' ILE . 0.0 OUTLIER -132.96 77.27 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.791 0.329 . . . . 0.0 111.302 179.707 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.406 ' HG2' HG11 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -82.74 2.6 33.01 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.772 179.226 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.694 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.5 OUTLIER -177.21 173.93 1.71 Allowed 'General case' 0 C--N 1.333 -0.121 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.386 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -76.36 -34.81 58.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.994 0.426 . . . . 0.0 110.661 179.868 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -68.33 -41.81 80.25 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.304 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.933 ' O ' HG23 ' B' ' 56' ' ' VAL . 24.8 m -61.21 -44.83 99.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.078 -179.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 1.007 HG22 HG22 ' B' ' 47' ' ' ILE . 2.0 t -52.79 -49.06 48.78 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.746 0.308 . . . . 0.0 110.7 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -51.93 -48.31 64.31 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.911 0.386 . . . . 0.0 110.191 179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.42 ' HB3' HG12 ' D' ' 10' ' ' ILE . 22.9 ttmt -68.71 -31.94 71.38 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.734 178.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.933 HG23 ' O ' ' B' ' 52' ' ' VAL . 92.9 t -63.6 -59.23 4.63 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.141 0 CA-C-N 116.028 -0.533 . . . . 0.0 109.833 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.404 ' HA ' HD12 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -57.64 -24.01 54.24 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.031 0.443 . . . . 0.0 110.029 178.884 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.97 -37.67 28.93 Favored 'General case' 0 C--N 1.333 -0.136 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.399 179.382 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.684 HG23 ' H ' ' D' ' 9' ' ' LYS . 26.2 m -74.12 -7.39 52.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.115 179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.582 HD11 HG12 ' B' ' 56' ' ' VAL . 1.6 mt -113.01 -12.48 13.22 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 111.731 0.271 . . . . 0.0 111.731 -179.438 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -48.77 125.83 10.87 Favored 'General case' 0 C--O 1.231 0.118 0 CA-C-O 120.742 0.306 . . . . 0.0 110.66 179.818 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -116.25 -51.62 2.61 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.309 -179.485 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -153.93 44.72 0.58 Allowed 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.148 -179.736 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.421 ' HA2' ' HD3' ' B' ' 26' ' ' LYS . . . -115.03 7.52 21.5 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.324 179.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.71 24.47 13.37 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.899 0.38 . . . . 0.0 110.442 -179.64 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 127.85 -20.07 5.76 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.342 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.457 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.0 OUTLIER -90.96 -179.92 5.59 Favored 'General case' 0 N--CA 1.451 -0.397 0 CA-C-O 121.01 0.433 . . . . 0.0 110.44 179.715 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.443 ' CB ' ' HG2' ' B' ' 72' ' ' GLU . 1.7 m -120.81 104.43 9.86 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.65 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.69 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -94.78 -176.9 4.01 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.62 -0.511 . . . . 0.0 109.62 179.366 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.533 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 30.1 t80 -59.15 -18.74 38.79 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 121.205 0.526 . . . . 0.0 110.449 179.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 15.7 mt-30 -64.1 -41.54 97.25 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.56 -0.745 . . . . 0.0 110.689 179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.503 ' HG3' ' O ' ' B' ' 69' ' ' ASP . 1.5 pp20? -78.07 -21.22 50.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.437 179.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.844 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.1 OUTLIER -55.66 -51.96 65.48 Favored 'General case' 0 CA--C 1.52 -0.206 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.611 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.458 ' HB3' ' CB ' ' A' ' 78' ' ' ALA . 20.8 mmt -63.36 -53.43 52.71 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.303 -0.862 . . . . 0.0 110.159 179.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -56.33 -33.36 65.54 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.744 179.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.473 ' HA ' HD22 ' B' ' 60' ' ' LEU . 58.3 t80 -65.82 -75.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.512 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.844 HG22 ' O ' ' B' ' 73' ' ' PHE . 0.9 OUTLIER -52.29 -26.18 8.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.993 179.796 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.461 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -82.49 -46.26 13.65 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 112.82 0.674 . . . . 0.0 112.82 -179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 28.0 mtm -70.63 -53.99 13.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.167 0.508 . . . . 0.0 110.554 -179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.649 HG22 ' CD2' ' D' ' 7' ' ' TRP . 85.3 t -56.09 -42.05 71.05 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.921 179.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.769 HG23 ' CG ' ' B' ' 85' ' ' HIS . 3.3 m -65.93 -61.06 2.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.53 -179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 7.3 p -42.89 -29.31 0.31 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.844 -0.616 . . . . 0.0 112.646 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.444 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -77.46 -72.3 0.36 Allowed 'General case' 0 C--N 1.324 -0.523 0 C-N-CA 120.621 -0.432 . . . . 0.0 111.34 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.52 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 4.5 p -89.34 -56.08 3.4 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.769 ' CG ' HG23 ' B' ' 81' ' ' THR . 6.4 t60 -43.29 -26.4 0.18 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.113 0.482 . . . . 0.0 110.964 -179.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -49.75 -64.13 0.9 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.514 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -113.17 -26.24 8.52 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.735 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.52 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 0.8 OUTLIER -67.39 -21.1 65.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.558 -0.292 . . . . 0.0 110.559 179.436 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.512 ' HB2' ' HA ' ' B' ' 85' ' ' HIS . 25.4 tp10 -104.53 92.49 4.32 Favored 'General case' 0 C--O 1.231 0.125 0 CA-C-O 120.923 0.392 . . . . 0.0 110.956 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -114.53 -56.28 2.4 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.92 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 . . . . . 0 C--O 1.249 1.031 0 CA-C-O 118.248 -0.882 . . . . 0.0 110.818 179.977 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.395 0 CA-C-O 120.604 0.24 . . . . 0.0 111.289 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . 0.487 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 0.0 OUTLIER -52.61 -71.78 0.06 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.58 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -98.72 1.78 46.43 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.279 -0.418 . . . . 0.0 111.141 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 1.023 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -81.45 -1.86 47.4 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.035 179.734 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 1.023 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 32.63 39.54 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.362 0 CA-C-O 121.461 0.648 . . . . 0.0 111.16 -179.283 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.429 ' HA ' ' O ' ' C' ' 12' ' ' SER . 31.0 t0 -57.52 81.9 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.113 -0.949 . . . . 0.0 111.875 -179.114 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.65 ' CD2' HG22 ' A' ' 80' ' ' VAL . 34.8 m0 -71.7 -54.71 9.44 Favored 'General case' 0 C--N 1.332 -0.162 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.685 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.515 ' O ' ' HA ' ' C' ' 12' ' ' SER . 22.8 t30 172.35 -82.57 0.0 OUTLIER 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.444 179.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.678 ' H ' HG23 ' A' ' 59' ' ' THR . 0.9 OUTLIER -97.95 -55.54 2.76 Favored 'General case' 0 CA--C 1.534 0.346 0 N-CA-C 112.553 0.575 . . . . 0.0 112.553 -179.562 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.594 HG23 ' CD2' ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.04 -59.63 1.92 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 113.002 0.742 . . . . 0.0 113.002 -177.661 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.594 ' CD2' HG23 ' C' ' 10' ' ' ILE . 4.0 mm? -87.35 -11.7 48.59 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-O 121.192 0.52 . . . . 0.0 109.854 179.391 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.515 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 19.9 p . . . . . 0 C--O 1.247 0.929 0 CA-C-O 118.043 -0.98 . . . . 0.0 111.392 179.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.487 1.421 0 CA-C-O 120.661 0.267 . . . . 0.0 111.337 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . 0.493 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 0.0 OUTLIER -52.61 -71.76 0.06 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.843 0.354 . . . . 0.0 110.56 179.859 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 9.4 t -98.73 1.77 46.39 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.141 179.357 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 1.008 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -81.36 -2.04 47.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.016 179.774 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 1.008 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 32.72 39.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 CA-C-O 121.394 0.616 . . . . 0.0 111.165 -179.214 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.436 ' HB2' ' HD3' ' D' ' 4' ' ' LYS . 31.0 t0 -57.57 82.0 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.135 -0.939 . . . . 0.0 111.843 -179.104 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.649 ' CD2' HG22 ' B' ' 80' ' ' VAL . 34.8 m0 -71.7 -54.69 9.5 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 109.548 -0.538 . . . . 0.0 109.548 178.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.516 ' O ' ' HA ' ' D' ' 12' ' ' SER . 22.7 t30 172.23 -82.6 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.452 -0.795 . . . . 0.0 110.429 179.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . 0.684 ' H ' HG23 ' B' ' 59' ' ' THR . 0.9 OUTLIER -97.85 -55.59 2.75 Favored 'General case' 0 CA--C 1.533 0.29 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -179.594 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.587 HG23 ' CD2' ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.1 -59.58 1.98 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.333 0 N-CA-C 112.94 0.719 . . . . 0.0 112.94 -177.594 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.588 HD12 ' CG1' ' D' ' 5' ' ' ILE . 4.0 mm? -87.34 -11.75 48.45 Favored 'General case' 0 N--CA 1.451 -0.412 0 CA-C-O 121.214 0.53 . . . . 0.0 109.776 179.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 19.6 p . . . . . 0 C--O 1.247 0.973 0 CA-C-O 118.068 -0.968 . . . . 0.0 111.4 179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.863 0.363 . . . . 0.0 111.2 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.516 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 1.7 mt-10 -58.62 -23.15 58.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.204 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 1.032 HD13 HD21 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -72.96 -25.8 61.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.873 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.08 -47.32 15.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.511 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -69.88 -49.78 48.84 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.154 -179.876 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -55.75 -37.85 69.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.713 0.292 . . . . 0.0 111.242 179.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.6 -68.34 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.977 0.418 . . . . 0.0 110.402 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.527 HG12 ' OD1' ' A' ' 12' ' ' ASP . 20.0 t -65.96 -25.36 35.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.839 179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.751 ' O ' HG23 ' A' ' 13' ' ' VAL . . . -51.3 -43.3 61.62 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 121.088 0.47 . . . . 0.0 110.409 179.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.724 HD13 ' SD ' ' A' ' 74' ' ' MET . 0.2 OUTLIER -73.47 -47.32 42.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.26 179.256 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.476 HG22 ' ND1' ' A' ' 15' ' ' HIS . 6.9 mm -54.4 -50.64 55.94 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.217 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.178 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . 0.527 ' OD1' HG12 ' A' ' 8' ' ' VAL . 1.1 m-20 -51.42 -52.34 46.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.996 -0.547 . . . . 0.0 111.432 -179.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 9' ' ' ALA . 21.7 t -45.48 -48.2 4.1 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.855 -179.609 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.82 ' CD2' HD13 ' A' ' 27' ' ' LEU . 2.6 m-30 -81.24 -33.28 32.93 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.873 0.368 . . . . 0.0 110.473 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.476 ' ND1' HG22 ' A' ' 11' ' ' ILE . 1.0 OUTLIER -66.26 -22.89 66.32 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.077 -0.511 . . . . 0.0 111.034 179.877 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' HG3' ' N ' ' A' ' 17' ' ' TYR . 10.5 pt20 -84.47 -44.11 13.95 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.7 0.286 . . . . 0.0 110.811 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.734 ' CG ' HD11 ' A' ' 35' ' ' LEU . 3.6 m-85 -83.18 -50.94 7.94 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.387 -179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.5 ' HB2' HD11 ' A' ' 27' ' ' LEU . 10.2 t -58.97 -49.18 78.86 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.227 -179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.57 -21.57 28.69 Favored Glycine 0 CA--C 1.518 0.251 0 C-N-CA 120.931 -0.652 . . . . 0.0 112.985 -179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.9 mtt180 -54.98 -56.75 16.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.713 0.292 . . . . 0.0 111.136 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.94 114.46 7.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.991 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.65 -158.61 23.34 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.649 -0.786 . . . . 0.0 112.596 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' A' ' 24' ' ' LYS . 25.7 t70 -74.43 -7.61 53.53 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.504 0.192 . . . . 0.0 111.416 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' A' ' 23' ' ' ASP . 17.5 tttt 69.29 13.96 8.54 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-O 120.676 0.274 . . . . 0.0 111.353 -179.847 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.412 ' O ' ' HA ' ' A' ' 69' ' ' ASP . 15.9 t-160 -125.09 -36.96 2.47 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.812 0.339 . . . . 0.0 110.852 179.632 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.687 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.81 160.67 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.13 179.914 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.834 HD23 ' HB3' ' A' ' 31' ' ' GLU . 5.7 mp -135.26 141.72 45.78 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.918 0.39 . . . . 0.0 110.739 -179.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.412 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 7.2 ptmt -93.04 -178.94 4.95 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.775 -179.008 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 4.9 mptt -51.33 -27.73 10.43 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.699 -0.682 . . . . 0.0 111.366 -179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.08 -41.15 18.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.057 -179.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.834 ' HB3' HD23 ' A' ' 27' ' ' LEU . 21.6 mt-10 -75.73 -56.83 4.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.497 -179.581 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.573 ' C ' HD13 ' A' ' 32' ' ' LEU . 3.0 tm? -50.05 -59.9 3.46 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.899 0.38 . . . . 0.0 111.467 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.701 ' CG ' HG11 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -58.08 -32.14 67.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.26 -179.511 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 1.0 OUTLIER -53.46 -50.28 65.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.073 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.734 HD11 ' CG ' ' A' ' 17' ' ' TYR . 1.6 mm? -65.09 -30.87 71.86 Favored 'General case' 0 CA--C 1.514 -0.422 0 CA-C-O 120.946 0.403 . . . . 0.0 110.816 179.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 1.018 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.6 mt -60.96 -48.17 90.22 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-O 121.334 0.588 . . . . 0.0 109.579 178.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -83.07 -10.28 58.8 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.615 178.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.482 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 9.3 t-20 -92.99 -34.67 13.64 Favored 'General case' 0 C--O 1.232 0.136 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.589 -179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.616 ' O ' HD23 ' A' ' 40' ' ' LEU . 48.9 mt-10 -156.03 46.57 0.47 Allowed 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.548 0.573 . . . . 0.0 112.548 -179.284 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.127 HD21 HD13 ' B' ' 3' ' ' LEU . 85.0 mt -150.8 87.77 1.44 Allowed 'General case' 0 N--CA 1.464 0.231 0 CA-C-O 120.855 0.36 . . . . 0.0 110.585 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 16.9 p -131.97 27.05 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.021 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -122.74 -76.79 0.59 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.715 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.55 -64.28 0.93 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.575 179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD22 HD13 ' A' ' 36' ' ' ILE . 0.1 OUTLIER -62.11 -21.87 65.35 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.738 179.543 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 61.69 28.43 17.55 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.965 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 54.92 63.59 2.08 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.836 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.851 ' CG2' HG22 ' A' ' 53' ' ' VAL . 12.7 pt 39.51 92.83 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.173 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.776 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.421 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.5 OUTLIER -48.81 -27.96 3.36 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.579 -179.526 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.775 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.0 OUTLIER -164.22 -178.52 5.57 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.556 -179.747 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.61 -34.02 58.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.043 0.449 . . . . 0.0 110.276 179.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -69.19 -42.08 76.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.76 -0.654 . . . . 0.0 111.058 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.51 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.2 m -60.61 -43.81 95.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.673 0.273 . . . . 0.0 110.805 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.911 ' HA ' HG12 ' A' ' 56' ' ' VAL . 2.7 t -53.02 -68.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.706 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 3.5 t0 -43.53 -32.15 0.86 Allowed 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.864 0.364 . . . . 0.0 111.115 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.481 ' HB3' HG12 ' C' ' 10' ' ' ILE . 18.1 ttmt -84.37 -40.72 17.51 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.897 179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.911 HG12 ' HA ' ' A' ' 53' ' ' VAL . 11.2 p -70.77 -35.36 60.13 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-N 116.639 -0.255 . . . . 0.0 110.816 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.692 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.2 OUTLIER -77.16 -26.73 53.3 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 177.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 17.5 mt-10 -79.79 -38.41 33.13 Favored 'General case' 0 N--CA 1.455 -0.188 0 CA-C-N 115.523 -0.762 . . . . 0.0 109.937 178.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.808 HG23 ' H ' ' C' ' 9' ' ' LYS . 43.2 m -57.52 -21.41 37.84 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.525 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.758 HD21 ' CD1' ' A' ' 76' ' ' PHE . 1.5 mt -92.18 -24.13 19.16 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.821 179.673 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -50.81 107.93 0.2 Allowed 'General case' 0 C--N 1.332 -0.162 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.119 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -128.74 -45.5 1.3 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.835 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -156.22 41.04 0.37 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.883 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 7.72 54.58 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.714 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.35 27.23 16.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.814 0.34 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.89 23.78 11.33 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.664 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.412 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -141.65 177.59 8.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.895 0.379 . . . . 0.0 110.354 179.81 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.43 ' HB2' ' HE2' ' A' ' 57' ' ' MET . 0.2 OUTLIER -112.04 88.85 2.91 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.939 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.687 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.4 OUTLIER -78.9 -173.0 3.31 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.906 -0.776 . . . . 0.0 108.906 178.618 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.558 ' HA ' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.21 -23.05 61.19 Favored 'General case' 0 C--N 1.319 -0.757 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.09 -179.621 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.417 ' HG3' ' N ' ' A' ' 72' ' ' GLU . 1.2 pt20 -69.87 -30.3 67.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.703 0.287 . . . . 0.0 110.676 179.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.445 ' HB3' ' HB3' ' A' ' 60' ' ' LEU . 2.1 mt-10 -70.61 -38.37 73.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.901 179.713 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.558 ' CE2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -77.29 -20.47 54.98 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.307 -179.856 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.724 ' SD ' HD13 ' A' ' 10' ' ' LEU . 12.7 mmm -68.72 -42.68 77.32 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 109.89 -0.411 . . . . 0.0 109.89 179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -72.83 -26.06 61.35 Favored 'General case' 0 N--CA 1.45 -0.474 0 CA-C-N 115.931 -0.577 . . . . 0.0 109.763 178.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.8 ' HA ' ' HG2' ' A' ' 79' ' ' MET . 45.4 t80 -64.1 -70.0 0.25 Allowed 'General case' 0 CA--C 1.519 -0.227 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.49 179.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.477 ' O ' ' HB ' ' A' ' 81' ' ' THR . 1.4 p -48.23 -29.56 2.34 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.286 0 CA-C-O 121.177 0.513 . . . . 0.0 110.381 179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -84.68 -35.63 22.45 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.417 -0.811 . . . . 0.0 112.163 -179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.8 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 6.0 ptp -81.81 -44.44 16.94 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.029 0.442 . . . . 0.0 111.237 -179.322 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.738 HG13 ' NE1' ' C' ' 7' ' ' TRP . 93.0 t -68.15 -40.79 83.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.34 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.691 ' HA ' ' HB2' ' A' ' 85' ' ' HIS . 6.4 t -63.55 -49.67 72.57 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.196 -179.745 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.448 ' N ' HG23 ' A' ' 81' ' ' THR . 62.5 m -51.85 -39.3 58.66 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.948 -0.569 . . . . 0.0 112.091 -179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.461 ' HB1' ' HA ' ' C' ' 5' ' ' ILE . . . -65.98 -72.5 0.16 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.728 -0.389 . . . . 0.0 111.714 -179.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.472 ' HA ' ' O ' ' C' ' 2' ' ' ARG . 0.0 OUTLIER -88.7 -55.85 3.54 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 -179.003 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.691 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 7.1 t60 -43.62 -24.76 0.13 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.803 0.335 . . . . 0.0 111.49 -179.015 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.7 tm-20 -43.83 -63.23 0.89 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.762 179.204 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.85 -5.89 10.1 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.72 179.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.834 ' CZ ' HG23 ' C' ' 3' ' ' THR . 35.3 m-85 -96.23 -9.76 29.65 Favored 'General case' 0 N--CA 1.456 -0.153 0 CA-C-N 116.617 -0.265 . . . . 0.0 110.874 179.335 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.472 ' HB3' ' CG ' ' A' ' 85' ' ' HIS . 1.8 pp20? -47.41 148.15 1.44 Allowed 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.752 0.31 . . . . 0.0 111.18 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -179.28 -47.07 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.866 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--O 1.249 1.046 0 CA-C-O 118.255 -0.879 . . . . 0.0 110.896 -179.978 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 14.4 t . . . . . 0 N--CA 1.485 1.312 0 CA-C-O 120.862 0.363 . . . . 0.0 111.215 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.512 ' HG2' ' HB1' ' A' ' 9' ' ' ALA . 1.7 mt-10 -58.62 -23.14 58.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.25 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 1.127 HD13 HD21 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -72.96 -25.88 61.17 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.873 179.854 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.05 -47.32 15.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.874 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.512 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -69.84 -49.85 48.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.109 -179.87 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.424 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -55.64 -37.99 68.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.726 0.298 . . . . 0.0 111.2 179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.55 -68.34 0.22 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.898 0.38 . . . . 0.0 110.37 179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.537 HG12 ' OD1' ' B' ' 12' ' ' ASP . 19.7 t -65.9 -25.46 36.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.896 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.751 ' O ' HG23 ' B' ' 13' ' ' VAL . . . -51.31 -43.28 61.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.001 0.429 . . . . 0.0 110.366 179.464 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.716 HD13 ' SD ' ' B' ' 74' ' ' MET . 0.2 OUTLIER -73.54 -47.33 41.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.192 179.29 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.487 HG22 ' ND1' ' B' ' 15' ' ' HIS . 7.0 mm -54.47 -50.52 57.4 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.21 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . 0.537 ' OD1' HG12 ' B' ' 8' ' ' VAL . 1.1 m-20 -51.43 -52.34 47.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.445 -179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.751 HG23 ' O ' ' B' ' 9' ' ' ALA . 21.7 t -45.52 -48.16 4.2 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.38 -0.373 . . . . 0.0 111.839 -179.572 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.813 ' CD2' HD13 ' B' ' 27' ' ' LEU . 2.6 m-30 -81.23 -33.27 32.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.911 0.386 . . . . 0.0 110.512 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.487 ' ND1' HG22 ' B' ' 11' ' ' ILE . 1.0 OUTLIER -66.29 -22.85 66.3 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.971 179.866 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . 0.457 ' HG3' ' N ' ' B' ' 17' ' ' TYR . 10.6 pt20 -84.46 -44.08 14.0 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-O 120.798 0.332 . . . . 0.0 110.894 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.736 ' CG ' HD11 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.28 -50.87 7.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.347 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.503 ' HB2' HD11 ' B' ' 27' ' ' LEU . 10.3 t -59.08 -49.08 79.23 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.319 -0.401 . . . . 0.0 111.198 -179.512 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . -55.69 -21.49 29.15 Favored Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.862 -0.685 . . . . 0.0 113.01 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 23.8 mtt180 -54.95 -56.73 16.41 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.828 0.347 . . . . 0.0 111.182 -179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -143.93 114.48 7.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.953 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.6 -158.67 23.35 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.645 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . 0.401 ' O ' ' HB3' ' B' ' 24' ' ' LYS . 25.6 t70 -74.3 -7.67 53.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.485 0.183 . . . . 0.0 111.436 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.401 ' HB3' ' O ' ' B' ' 23' ' ' ASP . 17.5 tttt 69.28 13.93 8.55 Favored 'General case' 0 CA--C 1.529 0.162 0 CA-C-O 120.723 0.297 . . . . 0.0 111.352 -179.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.404 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 15.9 t-160 -125.03 -36.96 2.48 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-O 120.853 0.359 . . . . 0.0 110.894 179.583 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.681 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.82 160.58 16.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.14 179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.832 HD23 ' HB3' ' B' ' 31' ' ' GLU . 5.7 mp -135.21 141.76 45.9 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.801 -179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.413 ' HA ' ' HG3' ' B' ' 67' ' ' GLU . 7.2 ptmt -93.01 -179.02 4.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.809 -178.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.405 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 4.9 mptt -51.19 -27.81 9.77 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.393 -179.83 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -83.01 -41.15 19.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.073 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.832 ' HB3' HD23 ' B' ' 27' ' ' LEU . 21.6 mt-10 -75.8 -56.84 4.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.455 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.577 HD13 ' C ' ' B' ' 32' ' ' LEU . 3.0 tm? -50.12 -59.87 3.5 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.818 0.342 . . . . 0.0 111.43 -179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.7 ' CG ' HG11 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -58.13 -32.12 67.85 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.295 -179.487 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.455 ' HB3' ' CE2' ' B' ' 17' ' ' TYR . 1.0 OUTLIER -53.35 -50.34 65.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.079 -179.845 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.736 HD11 ' CG ' ' B' ' 17' ' ' TYR . 1.6 mm? -65.14 -30.77 71.73 Favored 'General case' 0 CA--C 1.514 -0.428 0 CA-C-O 121.013 0.435 . . . . 0.0 110.838 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 1.004 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.6 mt -60.98 -48.23 89.97 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.696 0 CA-C-O 121.359 0.6 . . . . 0.0 109.613 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -83.04 -10.32 58.8 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.579 178.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.476 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 9.2 t-20 -92.99 -34.66 13.64 Favored 'General case' 0 C--N 1.334 -0.082 0 CA-C-N 116.554 -0.293 . . . . 0.0 111.64 -179.845 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.624 ' O ' HD23 ' B' ' 40' ' ' LEU . 49.0 mt-10 -156.01 46.64 0.47 Allowed 'General case' 0 CA--C 1.531 0.245 0 N-CA-C 112.498 0.555 . . . . 0.0 112.498 -179.303 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 1.032 HD21 HD13 ' A' ' 3' ' ' LEU . 84.7 mt -150.88 87.72 1.43 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.883 0.373 . . . . 0.0 110.704 178.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 16.5 p -131.99 27.12 4.58 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.021 -179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -122.8 -76.82 0.59 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.693 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -70.53 -64.34 0.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.56 179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.54 HD22 HD13 ' B' ' 36' ' ' ILE . 0.1 OUTLIER -61.99 -21.91 65.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.8 179.528 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 61.85 28.27 17.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 54.89 63.71 2.04 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.773 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.839 ' CG2' HG22 ' B' ' 53' ' ' VAL . 12.6 pt 39.47 92.86 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.717 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -48.85 -27.88 3.35 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.021 -0.536 . . . . 0.0 111.645 -179.544 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.785 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.0 OUTLIER -164.28 -178.53 5.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.586 -179.792 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -76.61 -33.96 58.4 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.092 0.473 . . . . 0.0 110.326 179.503 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -69.17 -42.11 76.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.081 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.502 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.2 m -60.66 -43.91 95.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.556 -0.293 . . . . 0.0 110.711 -179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.892 ' HA ' HG12 ' B' ' 56' ' ' VAL . 2.7 t -52.87 -68.56 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.717 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.455 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 3.5 t0 -43.54 -32.19 0.87 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.848 0.356 . . . . 0.0 111.106 -179.426 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.473 ' HB3' HG12 ' D' ' 10' ' ' ILE . 18.0 ttmt -84.34 -40.66 17.64 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 115.857 -0.611 . . . . 0.0 110.956 179.623 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.892 HG12 ' HA ' ' B' ' 53' ' ' VAL . 11.2 p -70.84 -35.25 59.35 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.186 0 CA-C-N 116.662 -0.245 . . . . 0.0 110.868 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.685 ' HA ' HD12 ' B' ' 60' ' ' LEU . 0.2 OUTLIER -77.25 -26.66 52.77 Favored 'General case' 0 N--CA 1.456 -0.144 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 177.88 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.455 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 17.6 mt-10 -79.79 -38.34 33.3 Favored 'General case' 0 N--CA 1.455 -0.185 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.0 178.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.789 HG23 ' H ' ' D' ' 9' ' ' LYS . 42.3 m -57.66 -21.34 39.45 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.49 179.384 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.751 HD21 ' CD1' ' B' ' 76' ' ' PHE . 1.5 mt -92.14 -24.22 19.17 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 179.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -50.93 107.99 0.21 Allowed 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.173 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 60.6 t30 -128.68 -45.6 1.31 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.855 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -156.24 41.1 0.37 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.758 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 7.68 54.52 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.76 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 60.41 27.26 16.85 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.807 0.337 . . . . 0.0 110.812 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 98.83 23.73 11.49 Favored Glycine 0 N--CA 1.45 -0.424 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.741 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.413 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -141.63 177.51 8.1 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-O 120.867 0.365 . . . . 0.0 110.352 179.843 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.434 ' HB2' ' HE2' ' B' ' 57' ' ' MET . 0.2 OUTLIER -111.93 88.68 2.86 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.031 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.681 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.4 OUTLIER -78.92 -173.02 3.33 Favored 'General case' 0 N--CA 1.451 -0.377 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 178.745 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.565 ' HA ' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -72.12 -23.06 61.26 Favored 'General case' 0 C--N 1.318 -0.761 0 C-N-CA 120.909 -0.316 . . . . 0.0 111.163 -179.582 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 1.2 pt20 -69.81 -30.39 67.9 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.786 0.327 . . . . 0.0 110.705 179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.449 ' HB3' ' HB3' ' B' ' 60' ' ' LEU . 2.1 mt-10 -70.58 -38.3 74.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 179.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.565 ' CE2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -77.38 -20.44 54.72 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.512 -0.475 . . . . 0.0 111.252 -179.791 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.716 ' SD ' HD13 ' B' ' 10' ' ' LEU . 12.8 mmm -68.69 -42.68 77.46 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.014 0.435 . . . . 0.0 109.977 179.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -72.83 -26.15 61.38 Favored 'General case' 0 N--CA 1.451 -0.384 0 CA-C-N 115.894 -0.594 . . . . 0.0 109.675 178.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.79 ' HA ' ' HG2' ' B' ' 79' ' ' MET . 45.2 t80 -64.06 -69.91 0.25 Allowed 'General case' 0 CA--C 1.518 -0.253 0 CA-C-N 115.778 -0.646 . . . . 0.0 110.534 179.364 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.484 ' O ' ' HB ' ' B' ' 81' ' ' THR . 1.4 p -48.33 -29.59 2.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-O 121.248 0.547 . . . . 0.0 110.363 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.718 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -84.66 -35.58 22.52 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.395 -0.82 . . . . 0.0 112.132 -179.62 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.79 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 6.0 ptp -81.8 -44.5 16.87 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.051 0.453 . . . . 0.0 111.239 -179.365 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.738 HG13 ' NE1' ' D' ' 7' ' ' TRP . 91.9 t -68.09 -40.83 83.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.28 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.683 ' HA ' ' HB2' ' B' ' 85' ' ' HIS . 6.4 t -63.71 -49.55 72.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.145 -179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.465 ' N ' HG23 ' B' ' 81' ' ' THR . 62.3 m -51.87 -39.3 58.72 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.036 -179.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' D' ' 5' ' ' ILE . . . -65.98 -72.51 0.16 Allowed 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.74 -0.384 . . . . 0.0 111.657 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.456 ' HA ' ' O ' ' D' ' 2' ' ' ARG . 0.0 OUTLIER -88.71 -55.97 3.49 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 112.873 0.694 . . . . 0.0 112.873 -178.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.683 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 7.1 t60 -43.64 -24.6 0.12 Allowed 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.789 0.328 . . . . 0.0 111.528 -178.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.7 tm-20 -43.95 -63.22 0.9 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.696 179.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -119.84 -5.93 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.689 179.154 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.838 ' CZ ' HG23 ' D' ' 3' ' ' THR . 35.1 m-85 -96.15 -9.86 29.6 Favored 'General case' 0 CA--C 1.528 0.125 0 CA-C-N 116.625 -0.261 . . . . 0.0 110.878 179.31 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.468 ' HB3' ' CG ' ' B' ' 85' ' ' HIS . 1.8 pp20? -47.41 148.12 1.44 Allowed 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 120.785 0.326 . . . . 0.0 111.206 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -179.27 -47.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.871 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.294 -0.86 . . . . 0.0 110.903 -179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . 0.561 HG23 ' HB3' ' C' ' 6' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.685 0.279 . . . . 0.0 111.405 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . 0.472 ' O ' ' HA ' ' A' ' 84' ' ' CYS . 6.1 mtp180 -50.38 -71.4 0.07 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.841 0.353 . . . . 0.0 110.689 179.753 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.834 HG23 ' CZ ' ' A' ' 88' ' ' PHE . 0.2 OUTLIER -98.72 1.72 46.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.098 179.323 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 1.001 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -80.8 -2.16 46.01 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.438 -179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 1.001 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 33.79 37.59 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.38 0 CA-C-O 121.372 0.606 . . . . 0.0 111.236 -179.3 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.561 ' HB3' HG23 ' C' ' 1' ' ' THR . 28.8 t0 -61.28 87.74 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.347 -0.842 . . . . 0.0 111.897 -178.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.738 ' NE1' HG13 ' A' ' 80' ' ' VAL . 32.0 m0 -76.49 -44.19 36.43 Favored 'General case' 0 C--N 1.332 -0.173 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 178.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.598 ' O ' ' HA ' ' C' ' 12' ' ' SER . 1.9 m-80 170.21 -86.79 0.0 OUTLIER 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.792 179.264 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.808 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -98.31 -49.97 4.5 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 112.397 0.517 . . . . 0.0 112.397 -179.58 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.68 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.42 -59.56 2.09 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 N-CA-C 112.711 0.634 . . . . 0.0 112.711 -177.704 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.68 HD23 HG23 ' C' ' 10' ' ' ILE . 4.1 mm? -90.4 -11.82 39.36 Favored 'General case' 0 N--CA 1.453 -0.303 0 N-CA-C 109.444 -0.576 . . . . 0.0 109.444 179.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 9.2 p . . . . . 0 C--O 1.246 0.919 0 CA-C-O 118.243 -0.884 . . . . 0.0 111.537 179.398 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . 0.549 HG23 ' HB3' ' D' ' 6' ' ' ASP . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.389 0 CA-C-O 120.671 0.272 . . . . 0.0 111.45 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . 0.456 ' O ' ' HA ' ' B' ' 84' ' ' CYS . 6.1 mtp180 -50.42 -71.47 0.06 Allowed 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.827 0.346 . . . . 0.0 110.604 179.803 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . 0.838 HG23 ' CZ ' ' B' ' 88' ' ' PHE . 0.2 OUTLIER -98.65 1.76 46.57 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.043 179.341 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 1.016 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -80.85 -2.15 46.14 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.392 -179.823 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 1.016 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 33.83 37.53 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.419 0 CA-C-O 121.363 0.601 . . . . 0.0 111.219 -179.311 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.549 ' HB3' HG23 ' D' ' 1' ' ' THR . 28.7 t0 -61.18 87.65 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.38 -0.827 . . . . 0.0 111.998 -178.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.738 ' NE1' HG13 ' B' ' 80' ' ' VAL . 31.7 m0 -76.36 -44.26 37.27 Favored 'General case' 0 C--N 1.332 -0.153 0 N-CA-C 109.511 -0.551 . . . . 0.0 109.511 178.553 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.598 ' O ' ' HA ' ' D' ' 12' ' ' SER . 1.9 m-80 170.23 -86.95 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.714 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . 0.789 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -98.18 -49.96 4.53 Favored 'General case' 0 CA--C 1.532 0.273 0 N-CA-C 112.517 0.562 . . . . 0.0 112.517 -179.636 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.703 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.43 -59.55 2.1 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.307 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 -177.721 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.703 HD23 HG23 ' D' ' 10' ' ' ILE . 4.1 mm? -90.4 -11.73 39.63 Favored 'General case' 0 N--CA 1.452 -0.326 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 178.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.598 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 9.3 p . . . . . 0 C--O 1.246 0.874 0 CA-C-O 118.248 -0.882 . . . . 0.0 111.529 179.443 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 7.7 m . . . . . 0 N--CA 1.486 1.34 0 CA-C-O 120.931 0.396 . . . . 0.0 111.153 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.578 ' OE2' HG22 ' B' ' 13' ' ' VAL . 5.4 pt-20 -55.41 -38.23 68.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.143 0.497 . . . . 0.0 110.9 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.557 HD13 ' OE2' ' B' ' 39' ' ' GLU . 0.4 OUTLIER -52.47 -44.69 65.75 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.626 -0.716 . . . . 0.0 110.965 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -61.34 -41.12 96.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.639 179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.554 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 1.7 mtpp -73.16 -51.45 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.902 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -57.72 -49.15 77.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.445 -179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.478 ' O ' HG13 ' A' ' 11' ' ' ILE . 49.6 ttm -50.27 -65.04 0.63 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.813 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 t -69.03 -20.27 24.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.844 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.554 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -59.1 -43.59 91.87 Favored 'General case' 0 C--O 1.236 0.377 0 CA-C-O 121.342 0.592 . . . . 0.0 109.641 179.113 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.522 HD12 ' HD2' ' A' ' 73' ' ' PHE . 1.2 pp -69.31 -39.25 78.38 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-N 115.591 -0.731 . . . . 0.0 109.488 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 7' ' ' MET . 4.1 mt -65.73 -35.99 76.5 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.813 0 CA-C-N 115.992 -0.549 . . . . 0.0 109.601 178.344 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.55 -42.12 54.97 Favored 'General case' 0 CA--C 1.52 -0.177 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.843 HG21 ' OE1' ' A' ' 39' ' ' GLU . 25.6 t -58.56 -46.64 89.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.426 178.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.526 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -72.09 -34.66 68.84 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.368 179.418 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.466 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 0.2 OUTLIER -72.1 -16.34 62.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.017 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.55 -45.06 16.44 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-O 120.948 0.404 . . . . 0.0 110.085 179.607 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.698 ' CD1' HD11 ' A' ' 35' ' ' LEU . 2.7 m-85 -83.49 -46.97 11.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.12 179.647 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.408 ' OG ' HD11 ' A' ' 27' ' ' LEU . 20.2 m -57.31 117.1 3.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.056 -179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.412 ' N ' ' HA ' ' A' ' 24' ' ' LYS . . . 139.49 -26.32 2.68 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.652 -0.785 . . . . 0.0 112.627 179.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.29 -30.47 71.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.762 0.315 . . . . 0.0 110.946 -179.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -82.19 -70.8 0.52 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.034 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.48 -49.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.95 -35.23 72.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.863 0.364 . . . . 0.0 110.79 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' HA ' ' N ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER 58.73 41.42 21.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.987 179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.72 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 2.2 t-160 -176.69 42.14 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.964 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.2 mtpt -164.89 152.08 11.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.647 -0.706 . . . . 0.0 109.834 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.964 HD13 ' O ' ' A' ' 26' ' ' LYS . 1.3 mm? -134.51 133.59 40.52 Favored 'General case' 0 C--O 1.224 -0.265 0 CA-C-O 121.009 0.433 . . . . 0.0 111.34 179.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.447 ' HA ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -98.6 -169.91 1.86 Allowed 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.421 -179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -55.27 -41.38 72.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.143 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 84.2 p -74.99 -42.39 57.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.216 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.722 ' O ' HD22 ' A' ' 35' ' ' LEU . 25.3 mt-10 -66.58 -67.88 0.42 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.188 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.534 ' HA ' HD23 ' A' ' 35' ' ' LEU . 6.0 tp -45.52 -59.74 2.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.071 -179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 1.003 ' HG2' HG11 ' A' ' 53' ' ' VAL . 38.7 mttt -41.28 -46.93 3.34 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.547 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.62 -55.51 31.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.595 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.722 HD22 ' O ' ' A' ' 31' ' ' GLU . 1.3 mm? -49.44 -35.93 20.83 Favored 'General case' 0 CA--C 1.514 -0.434 0 CA-C-O 120.923 0.392 . . . . 0.0 111.537 -179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.685 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.2 mt -55.18 -64.45 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.791 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 178.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -68.7 -12.67 61.69 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.601 178.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.483 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 8.8 t30 -88.92 -23.67 22.65 Favored 'General case' 0 C--O 1.231 0.095 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.592 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.843 ' OE1' HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -148.11 43.88 1.05 Allowed 'General case' 0 CA--C 1.531 0.225 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.282 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.685 HD12 ' HA ' ' A' ' 36' ' ' ILE . 83.5 mt -156.9 69.53 0.6 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.858 0.361 . . . . 0.0 110.696 179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -97.96 35.73 1.67 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.032 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.62 -49.8 2.0 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.782 179.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.56 -48.86 2.04 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.616 179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.478 HD13 HD13 ' A' ' 40' ' ' LEU . 2.0 mt -98.39 53.74 1.05 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.517 179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.36 -28.74 30.69 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.344 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.542 ' O ' ' O ' ' A' ' 47' ' ' ILE . 24.4 tt0 -163.44 50.45 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.0 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.681 ' CG2' HG22 ' A' ' 53' ' ' VAL . 0.0 OUTLIER 52.95 135.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.207 179.639 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.556 ' HB2' HG11 ' A' ' 52' ' ' VAL . 0.3 OUTLIER -57.62 -22.78 47.45 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.961 -179.448 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.535 ' O ' HG23 ' A' ' 53' ' ' VAL . 1.9 mt-10 167.29 175.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.026 -179.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.23 -31.71 62.7 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.863 0.363 . . . . 0.0 110.75 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -73.44 -40.55 64.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.249 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.941 ' O ' HG23 ' A' ' 56' ' ' VAL . 17.1 m -61.26 -42.33 93.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.567 -179.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.003 HG11 ' HG2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -61.09 -50.07 82.04 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 C-N-CA 120.945 -0.302 . . . . 0.0 110.926 -179.632 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -48.73 -35.31 13.84 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-O 121.092 0.472 . . . . 0.0 109.839 179.6 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.428 ' O ' ' OG1' ' A' ' 59' ' ' THR . 0.0 OUTLIER -81.31 -41.11 22.6 Favored 'General case' 0 N--CA 1.45 -0.447 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 178.075 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.941 HG23 ' O ' ' A' ' 52' ' ' VAL . 91.3 t -55.6 -53.37 37.41 Favored 'Isoleucine or valine' 0 CA--C 1.523 -0.079 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.762 178.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.447 ' HE1' ' HA ' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -56.35 -39.58 73.1 Favored 'General case' 0 N--CA 1.453 -0.287 0 N-CA-C 108.66 -0.867 . . . . 0.0 108.66 178.322 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.49 -38.46 91.21 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 114.936 -1.029 . . . . 0.0 109.856 178.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.712 ' CG2' HG22 ' C' ' 10' ' ' ILE . 0.2 OUTLIER -64.8 -31.85 73.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.712 -0.676 . . . . 0.0 110.145 179.302 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.789 HD21 ' CD1' ' A' ' 76' ' ' PHE . 78.3 mt -80.43 -50.12 10.51 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.114 -179.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 27.8 t0 -49.15 95.19 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.044 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.55 -50.15 6.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.677 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 176.72 45.15 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.53 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.11 -58.11 0.93 Allowed Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.567 -0.825 . . . . 0.0 112.601 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.37 30.9 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.61 -17.37 35.42 Favored Glycine 0 CA--C 1.52 0.369 0 C-N-CA 120.55 -0.833 . . . . 0.0 113.347 179.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.667 ' HB2' ' O ' ' A' ' 27' ' ' LEU . 2.1 pt-20 -114.68 -175.12 2.62 Favored 'General case' 0 N--CA 1.451 -0.397 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.487 ' O ' ' HB2' ' A' ' 27' ' ' LEU . 3.2 m -111.22 115.25 29.04 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.193 0.442 . . . . 0.0 112.193 -178.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.567 ' HB3' ' HA ' ' A' ' 26' ' ' LYS . 9.1 p-10 -104.7 -167.65 1.38 Allowed 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.528 -0.545 . . . . 0.0 109.528 178.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.436 ' CE1' HG12 ' A' ' 11' ' ' ILE . 5.7 t80 -62.05 -26.16 68.1 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 179.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.93 -38.31 90.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.964 0.411 . . . . 0.0 110.697 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.471 ' HB3' ' HB3' ' A' ' 60' ' ' LEU . 3.0 mm-40 -76.8 -28.28 55.54 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.459 179.71 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.684 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.6 OUTLIER -51.99 -58.35 6.78 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.308 179.26 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.454 ' O ' ' HB3' ' A' ' 78' ' ' ALA . 72.0 mmm -60.2 -45.87 91.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.134 179.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' O ' ' HE2' ' A' ' 79' ' ' MET . . . -61.11 -21.12 63.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.031 179.293 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.789 ' CD1' HD21 ' A' ' 60' ' ' LEU . 44.3 t80 -85.44 -74.69 0.39 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.298 -179.666 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.821 ' O ' HG23 ' A' ' 81' ' ' THR . 0.9 OUTLIER -50.24 -26.2 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.411 -179.687 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 74' ' ' MET . . . -83.83 -53.79 5.35 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 -179.222 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.457 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 25.1 mtm -62.16 -46.07 90.6 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.421 0.629 . . . . 0.0 110.267 -179.685 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.769 HG13 ' NE1' ' C' ' 7' ' ' TRP . 89.4 t -56.54 -52.45 53.09 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.632 0 CA-C-N 114.976 -1.011 . . . . 0.0 111.674 -179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.821 HG23 ' O ' ' A' ' 77' ' ' VAL . 14.8 p -72.97 -49.52 28.67 Favored 'General case' 0 C--N 1.333 -0.146 0 CA-C-O 120.783 0.325 . . . . 0.0 111.452 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.497 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 68.9 m -47.87 -25.87 1.47 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.691 -179.27 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.474 ' HB2' ' CB ' ' C' ' 6' ' ' ASP . . . -83.29 -68.35 0.72 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.91 0.386 . . . . 0.0 112.025 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.504 ' O ' ' N ' ' A' ' 88' ' ' PHE . 0.1 OUTLIER -85.88 -49.95 7.48 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.621 -178.656 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.467 ' HB2' ' HA ' ' A' ' 81' ' ' THR . 1.4 t60 -51.3 -19.38 1.25 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 121.053 0.454 . . . . 0.0 110.128 178.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.497 ' HB2' ' O ' ' A' ' 82' ' ' THR . 18.3 tt0 -61.12 -64.75 0.85 Allowed 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 115.694 -0.685 . . . . 0.0 111.569 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -121.91 -16.56 7.56 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.988 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.504 ' N ' ' O ' ' A' ' 84' ' ' CYS . 8.7 m-85 -92.9 -17.68 23.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.553 179.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 62.8 -79.95 0.03 OUTLIER 'General case' 0 C--O 1.232 0.15 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.992 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.15 -73.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 0.0 110.922 -179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.877 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 7.6 m . . . . . 0 N--CA 1.488 1.432 0 CA-C-O 120.846 0.355 . . . . 0.0 111.1 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.601 ' OE2' HG22 ' A' ' 13' ' ' VAL . 5.4 pt-20 -55.31 -38.32 68.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.177 0.513 . . . . 0.0 110.992 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.563 HD13 ' OE2' ' A' ' 39' ' ' GLU . 0.4 OUTLIER -52.32 -44.83 65.33 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.625 -0.716 . . . . 0.0 110.984 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 17.4 mm-40 -61.24 -41.24 96.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.578 179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.553 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 1.8 mtpp -73.16 -51.48 17.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.773 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.449 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -57.78 -49.11 77.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.392 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.479 ' O ' HG13 ' B' ' 11' ' ' ILE . 49.6 ttm -50.26 -65.1 0.62 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.968 0.413 . . . . 0.0 110.801 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.6 t -68.96 -20.41 24.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.753 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.553 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -59.01 -43.56 91.56 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.259 0.552 . . . . 0.0 109.669 179.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.52 HD12 ' HD2' ' B' ' 73' ' ' PHE . 1.2 pp -69.32 -39.32 78.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.459 178.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.479 HG13 ' O ' ' B' ' 7' ' ' MET . 4.1 mt -65.74 -35.99 76.49 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.802 0 CA-C-N 115.947 -0.57 . . . . 0.0 109.599 178.42 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -50.57 -42.01 55.03 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 178.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.847 HG21 ' OE1' ' B' ' 39' ' ' GLU . 25.7 t -58.66 -46.6 90.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 115.557 -0.747 . . . . 0.0 110.413 178.738 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.531 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -72.16 -34.7 68.69 Favored 'General case' 0 CA--C 1.529 0.168 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.369 179.489 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.462 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 0.2 OUTLIER -72.03 -16.32 62.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.094 179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.5 -45.2 16.3 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-O 120.922 0.391 . . . . 0.0 110.022 179.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.694 ' CD1' HD11 ' B' ' 35' ' ' LEU . 2.7 m-85 -83.46 -47.02 11.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.067 179.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.411 ' OG ' HD11 ' B' ' 27' ' ' LEU . 20.3 m -57.3 117.11 3.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.061 -179.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.407 ' N ' ' HA ' ' B' ' 24' ' ' LYS . . . 139.46 -26.34 2.68 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.598 -0.81 . . . . 0.0 112.636 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -64.19 -30.56 71.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.805 0.336 . . . . 0.0 111.012 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -82.17 -70.85 0.52 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.0 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 176.55 -49.03 0.11 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.496 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -58.92 -35.24 72.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.83 0.348 . . . . 0.0 110.818 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.407 ' HA ' ' N ' ' B' ' 19' ' ' GLY . 0.0 OUTLIER 58.71 41.44 21.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.008 179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.727 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 2.2 t-160 -176.69 42.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.136 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.946 ' O ' HD13 ' B' ' 27' ' ' LEU . 1.2 mtpt -164.93 152.05 10.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.693 -0.685 . . . . 0.0 109.856 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.946 HD13 ' O ' ' B' ' 26' ' ' LYS . 1.3 mm? -134.52 133.54 40.44 Favored 'General case' 0 C--O 1.224 -0.249 0 CA-C-O 120.973 0.416 . . . . 0.0 111.344 179.518 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.461 ' HA ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -98.52 -169.91 1.87 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.747 -0.66 . . . . 0.0 111.444 -179.902 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 mttt -55.32 -41.41 72.39 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.012 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 84.4 p -74.95 -42.47 57.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.18 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.734 ' O ' HD22 ' B' ' 35' ' ' LEU . 25.3 mt-10 -66.64 -67.84 0.42 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.15 -179.708 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.52 ' HA ' HD23 ' B' ' 35' ' ' LEU . 6.0 tp -45.59 -59.58 2.66 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.133 -179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.96 ' HG2' HG11 ' B' ' 53' ' ' VAL . 38.7 mttt -41.37 -46.97 3.47 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 120.903 0.383 . . . . 0.0 111.516 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -55.6 -55.47 31.68 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.589 -179.401 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.734 HD22 ' O ' ' B' ' 31' ' ' GLU . 1.3 mm? -49.44 -35.99 21.03 Favored 'General case' 0 CA--C 1.514 -0.431 0 CA-C-O 120.933 0.397 . . . . 0.0 111.465 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.664 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.2 mt -55.16 -64.49 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.834 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 178.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -68.66 -12.67 61.67 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.621 178.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.489 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 8.8 t30 -88.97 -23.65 22.6 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.594 -179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.847 ' OE1' HG21 ' B' ' 13' ' ' VAL . 0.1 OUTLIER -148.07 43.83 1.06 Allowed 'General case' 0 CA--C 1.531 0.217 0 N-CA-C 112.427 0.529 . . . . 0.0 112.427 -179.288 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.664 HD12 ' HA ' ' B' ' 36' ' ' ILE . 83.1 mt -156.9 69.54 0.6 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.811 0.339 . . . . 0.0 110.692 179.059 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 2.4 t -97.93 35.73 1.67 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.048 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -122.6 -49.85 2.0 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.725 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -122.6 -48.87 2.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.584 179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.48 ' CD1' HD13 ' B' ' 40' ' ' LEU . 2.0 mt -98.32 53.68 1.06 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.618 179.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -53.33 -28.79 30.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.26 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.537 ' O ' ' O ' ' B' ' 47' ' ' ILE . 24.4 tt0 -163.48 50.46 0.15 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.026 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.68 ' CG2' HG22 ' B' ' 53' ' ' VAL . 0.0 OUTLIER 52.98 135.64 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.532 0.282 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.269 179.658 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.561 ' HB2' HG21 ' B' ' 52' ' ' VAL . 0.3 OUTLIER -57.56 -22.93 47.69 Favored 'General case' 0 N--CA 1.465 0.325 0 CA-C-O 120.83 0.348 . . . . 0.0 111.003 -179.482 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.53 ' O ' HG23 ' B' ' 53' ' ' VAL . 1.9 mt-10 167.46 175.64 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.921 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -74.23 -31.66 62.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.834 0.349 . . . . 0.0 110.852 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -73.44 -40.65 64.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.234 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.921 ' O ' HG23 ' B' ' 56' ' ' VAL . 17.0 m -61.24 -42.24 92.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.628 -179.613 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.96 HG11 ' HG2' ' B' ' 33' ' ' LYS . 0.2 OUTLIER -61.05 -50.06 82.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.027 -179.747 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -48.76 -35.25 13.85 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.144 0.497 . . . . 0.0 109.866 179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.422 ' O ' ' OG1' ' B' ' 59' ' ' THR . 0.0 OUTLIER -81.41 -41.01 22.54 Favored 'General case' 0 N--CA 1.451 -0.403 0 N-CA-C 108.887 -0.782 . . . . 0.0 108.887 178.061 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.921 HG23 ' O ' ' B' ' 52' ' ' VAL . 91.2 t -55.7 -53.24 39.31 Favored 'Isoleucine or valine' 0 CA--C 1.521 -0.147 0 CA-C-N 115.895 -0.593 . . . . 0.0 109.78 178.658 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.461 ' HE1' ' HA ' ' B' ' 28' ' ' LYS . 0.1 OUTLIER -56.55 -39.5 73.52 Favored 'General case' 0 N--CA 1.453 -0.306 0 N-CA-C 108.652 -0.87 . . . . 0.0 108.652 178.33 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.52 -38.44 91.13 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 114.904 -1.044 . . . . 0.0 109.934 178.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.698 ' CG2' HG22 ' D' ' 10' ' ' ILE . 0.2 OUTLIER -64.76 -31.8 73.19 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.195 179.166 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.788 HD21 ' CD1' ' B' ' 76' ' ' PHE . 78.4 mt -80.49 -50.06 10.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.619 -0.719 . . . . 0.0 111.085 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 27.7 t0 -49.19 95.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.025 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -89.66 -50.16 6.23 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.641 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.4 p30 176.78 45.13 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.457 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -99.09 -58.21 0.93 Allowed Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.634 -0.794 . . . . 0.0 112.531 -179.789 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -177.38 30.98 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 N-CA-C 111.866 0.321 . . . . 0.0 111.866 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 85.55 -17.28 35.64 Favored Glycine 0 CA--C 1.519 0.332 0 C-N-CA 120.605 -0.807 . . . . 0.0 113.301 179.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.666 ' HB2' ' O ' ' B' ' 27' ' ' LEU . 2.1 pt-20 -114.74 -175.24 2.64 Favored 'General case' 0 N--CA 1.45 -0.452 0 N-CA-C 109.654 -0.498 . . . . 0.0 109.654 179.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.489 ' O ' ' HB2' ' B' ' 27' ' ' LEU . 3.2 m -111.13 115.3 29.18 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 112.221 0.452 . . . . 0.0 112.221 -178.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.573 ' HB3' ' HA ' ' B' ' 26' ' ' LYS . 9.1 p-10 -104.73 -167.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.522 -0.547 . . . . 0.0 109.522 178.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.439 ' CE1' HG12 ' B' ' 11' ' ' ILE . 5.7 t80 -62.05 -26.2 68.12 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.797 0.332 . . . . 0.0 110.893 179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -62.92 -38.32 90.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.987 0.422 . . . . 0.0 110.709 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.465 ' HB3' ' HB3' ' B' ' 60' ' ' LEU . 3.1 mm-40 -76.85 -28.23 55.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.026 -0.533 . . . . 0.0 110.472 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.68 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.6 OUTLIER -51.98 -58.35 6.77 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.306 179.229 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.46 ' SD ' HD21 ' B' ' 10' ' ' LEU . 71.9 mmm -60.17 -45.94 91.4 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.075 179.405 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -61.13 -21.08 63.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.049 179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.788 ' CD1' HD21 ' B' ' 60' ' ' LEU . 44.2 t80 -85.38 -74.73 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.318 -179.727 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.812 ' O ' HG23 ' B' ' 81' ' ' THR . 0.9 OUTLIER -50.2 -26.27 3.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.413 -179.704 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' B' ' 74' ' ' MET . . . -83.85 -53.77 5.36 Favored 'General case' 0 C--N 1.322 -0.591 0 N-CA-C 112.31 0.485 . . . . 0.0 112.31 -179.207 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 25.2 mtm -62.06 -46.12 90.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.41 0.624 . . . . 0.0 110.284 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.786 HG13 ' NE1' ' D' ' 7' ' ' TRP . 89.2 t -56.57 -52.44 53.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.62 0 CA-C-N 115.102 -0.954 . . . . 0.0 111.645 -179.845 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.812 HG23 ' O ' ' B' ' 77' ' ' VAL . 15.0 p -73.01 -49.47 28.67 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-O 120.802 0.334 . . . . 0.0 111.445 -179.721 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.498 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 69.2 m -47.79 -25.96 1.45 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.697 -179.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.466 ' HB2' ' CB ' ' D' ' 6' ' ' ASP . . . -83.29 -68.35 0.72 Allowed 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 112.091 0.404 . . . . 0.0 112.091 -179.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' B' ' 88' ' ' PHE . 0.1 OUTLIER -85.78 -50.0 7.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.654 -178.761 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.468 ' HB2' ' HA ' ' B' ' 81' ' ' THR . 1.4 t60 -51.32 -19.35 1.26 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.06 0.457 . . . . 0.0 110.1 179.057 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.498 ' HB2' ' O ' ' B' ' 82' ' ' THR . 18.3 tt0 -61.15 -64.78 0.84 Allowed 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.522 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -121.97 -16.41 7.57 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.007 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.495 ' N ' ' O ' ' B' ' 84' ' ' CYS . 8.7 m-85 -93.0 -17.7 23.58 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.534 179.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 62.81 -79.87 0.03 OUTLIER 'General case' 0 C--O 1.231 0.101 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.081 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -145.16 -73.73 0.24 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.821 0.343 . . . . 0.0 110.96 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--O 1.249 1.054 0 CA-C-O 118.243 -0.884 . . . . 0.0 110.876 -179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . 0.872 HG22 ' HB2' ' C' ' 6' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.484 1.262 0 CA-C-O 120.539 0.209 . . . . 0.0 111.338 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -100.2 -73.43 0.64 Allowed 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.711 -0.396 . . . . 0.0 112.013 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 7.2 t -101.31 1.82 39.08 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 113.389 0.885 . . . . 0.0 113.389 -178.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.807 ' O ' HG23 ' C' ' 5' ' ' ILE . 8.9 tttt -83.72 -65.48 1.0 Allowed 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.378 -0.529 . . . . 0.0 110.262 -179.568 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.807 HG23 ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 141.77 -11.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 C-N-CA 124.867 1.267 . . . . 0.0 110.345 179.262 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.872 ' HB2' HG22 ' C' ' 1' ' ' THR . 40.0 t0 64.32 -4.41 0.41 Allowed 'General case' 0 CA--C 1.537 0.455 0 N-CA-C 113.968 1.099 . . . . 0.0 113.968 178.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.769 ' NE1' HG13 ' A' ' 80' ' ' VAL . 11.6 m95 -48.85 -69.37 0.12 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 118.646 0.657 . . . . 0.0 109.9 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.691 ' HB3' HG23 ' A' ' 59' ' ' THR . 43.8 t-20 146.4 -97.86 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.489 0.715 . . . . 0.0 111.936 177.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.2 -36.33 10.48 Favored 'General case' 0 N--CA 1.465 0.311 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 -178.373 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.726 HG21 ' HE3' ' C' ' 7' ' ' TRP . 1.7 tp -52.82 -60.79 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 CA-C-O 120.5 0.191 . . . . 0.0 111.242 -178.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.668 HD23 HG13 ' C' ' 10' ' ' ILE . 16.7 mt -93.13 -25.22 17.97 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.215 0.531 . . . . 0.0 109.902 178.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.64 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.99 0 CA-C-O 118.271 -0.871 . . . . 0.0 111.281 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . 0.84 HG22 ' HB2' ' D' ' 6' ' ' ASP . 0.9 OUTLIER . . . . . 0 N--CA 1.483 1.202 0 CA-C-O 120.549 0.214 . . . . 0.0 111.403 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 11.1 ttm180 -100.27 -73.4 0.64 Allowed 'General case' 0 C--N 1.327 -0.396 0 C-N-CA 120.698 -0.401 . . . . 0.0 112.024 -179.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 7.3 t -101.22 1.74 39.25 Favored 'General case' 0 C--N 1.329 -0.307 0 N-CA-C 113.368 0.877 . . . . 0.0 113.368 -178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.816 ' O ' HG23 ' D' ' 5' ' ' ILE . 8.8 tttt -83.74 -65.53 1.0 Allowed 'General case' 0 N--CA 1.453 -0.288 0 C-N-CA 120.417 -0.513 . . . . 0.0 110.268 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.816 HG23 ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 141.79 -11.04 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 124.9 1.28 . . . . 0.0 110.332 179.174 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.84 ' HB2' HG22 ' D' ' 1' ' ' THR . 40.2 t0 64.17 -4.36 0.4 Allowed 'General case' 0 CA--C 1.535 0.402 0 N-CA-C 113.967 1.099 . . . . 0.0 113.967 178.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.786 ' NE1' HG13 ' B' ' 80' ' ' VAL . 11.6 m95 -48.89 -69.38 0.12 Allowed 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 118.697 0.68 . . . . 0.0 109.939 179.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.692 ' HB3' HG23 ' B' ' 59' ' ' THR . 44.0 t-20 146.47 -97.71 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.548 0.739 . . . . 0.0 111.94 177.522 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -97.32 -36.27 10.45 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.999 0.741 . . . . 0.0 112.999 -178.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.724 HG21 ' HE3' ' D' ' 7' ' ' TRP . 1.7 tp -52.78 -60.84 0.97 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.391 0 CA-C-O 120.514 0.197 . . . . 0.0 111.233 -178.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.687 HD23 HG13 ' D' ' 10' ' ' ILE . 16.8 mt -93.08 -25.38 17.94 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.157 0.504 . . . . 0.0 109.813 178.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.653 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.248 1.012 0 CA-C-O 118.294 -0.86 . . . . 0.0 111.297 179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.487 1.406 0 CA-C-O 120.752 0.31 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -58.65 -23.71 59.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.133 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.14 -62.48 1.83 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.942 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.87 -41.03 97.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.115 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.13 -61.59 2.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.129 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -56.82 -36.01 69.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.397 -179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.556 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.0 ttt -58.93 -55.36 36.13 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.758 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.655 ' HA ' HG13 ' A' ' 11' ' ' ILE . 21.8 t -73.32 -28.55 25.85 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.884 -179.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.59 -42.78 71.51 Favored 'General case' 0 C--O 1.237 0.396 0 CA-C-O 121.445 0.64 . . . . 0.0 109.801 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.94 -59.72 3.56 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.287 -0.87 . . . . 0.0 109.116 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.655 HG13 ' HA ' ' A' ' 8' ' ' VAL . 0.4 OUTLIER -47.9 -37.11 6.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-N 114.916 -1.038 . . . . 0.0 110.69 179.125 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.77 -42.83 72.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.281 179.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.823 HG12 ' HG ' ' A' ' 35' ' ' LEU . 6.7 t -63.65 -47.02 93.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.863 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.584 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -76.61 -24.57 53.41 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-O 120.703 0.287 . . . . 0.0 111.086 -179.689 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.423 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 18.5 t-80 -81.38 -18.02 46.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.119 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.94 -43.89 14.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.831 0.348 . . . . 0.0 110.211 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.75 ' CD1' HD11 ' A' ' 35' ' ' LEU . 3.0 m-85 -83.55 -58.42 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.14 179.821 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.66 ' HB2' HD11 ' A' ' 27' ' ' LEU . 0.5 OUTLIER -58.3 114.26 2.33 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.935 -179.907 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.59 -44.2 1.19 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.41 -43.59 92.98 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.828 0.347 . . . . 0.0 111.033 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -146.25 80.19 1.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.83 -156.81 28.73 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.57 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.0 -7.73 59.02 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.576 0.227 . . . . 0.0 111.468 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt 69.84 49.45 0.52 Allowed 'General case' 0 C--O 1.231 0.126 0 CA-C-O 121.039 0.447 . . . . 0.0 110.752 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.411 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 8.8 t-160 -171.37 -34.85 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.687 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.735 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -111.33 163.44 13.97 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.343 -179.893 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.674 HD13 ' O ' ' A' ' 26' ' ' LYS . 2.3 mm? -131.96 139.72 48.76 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.133 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.82 -177.49 3.38 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.004 0.431 . . . . 0.0 111.556 -179.327 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.61 -26.4 13.42 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.019 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -83.12 -43.87 15.74 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.674 179.723 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.606 ' O ' HD22 ' A' ' 35' ' ' LEU . 1.5 mp0 -81.43 -64.25 1.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.439 -179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.589 ' C ' HD13 ' A' ' 32' ' ' LEU . 3.4 tm? -44.05 -56.89 3.69 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-O 120.783 0.325 . . . . 0.0 111.424 -179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.569 ' HD3' HG11 ' A' ' 53' ' ' VAL . 73.9 mttt -59.32 -45.81 90.29 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.819 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 0.5 OUTLIER -43.03 -45.92 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.285 -179.67 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.823 ' HG ' HG12 ' A' ' 13' ' ' VAL . 2.2 mm? -66.33 -38.57 87.98 Favored 'General case' 0 CA--C 1.51 -0.574 0 CA-C-O 121.235 0.54 . . . . 0.0 110.262 179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.992 HG23 HD13 ' A' ' 40' ' ' LEU . 0.3 OUTLIER -54.69 -56.7 9.13 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.762 0 CA-C-N 115.3 -0.864 . . . . 0.0 108.943 178.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.519 ' N ' HG22 ' A' ' 36' ' ' ILE . 1.5 p30 -69.94 -22.57 63.17 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.059 -0.519 . . . . 0.0 109.701 177.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.521 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 64.7 t-20 -67.54 -45.59 75.27 Favored 'General case' 0 N--CA 1.457 -0.124 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.802 178.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.71 61.89 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.992 HD13 HG23 ' A' ' 36' ' ' ILE . 1.0 OUTLIER -79.69 -15.15 58.09 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.579 179.474 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.494 ' N ' HD23 ' A' ' 40' ' ' LEU . 1.0 OUTLIER 165.26 -62.4 0.0 OUTLIER 'General case' 0 C--O 1.232 0.144 0 CA-C-O 120.9 0.381 . . . . 0.0 110.484 -179.79 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -138.63 -46.66 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.981 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HB3' HD23 ' A' ' 44' ' ' LEU . 1.2 t80 -160.19 -67.46 0.07 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.337 -179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.496 HD23 ' HB3' ' A' ' 43' ' ' PHE . 0.7 OUTLIER -143.67 57.0 1.36 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.065 -179.602 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.561 ' N ' HD11 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -70.59 -67.86 0.47 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.089 179.931 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.5 mp0 -63.98 -14.11 51.41 Favored 'General case' 0 C--N 1.331 -0.207 0 N-CA-C 111.973 0.361 . . . . 0.0 111.973 -179.677 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.89 HG23 HD13 ' A' ' 36' ' ' ILE . 10.2 pt -122.37 77.08 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.64 0 CA-C-O 121.099 0.476 . . . . 0.0 110.663 179.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.46 -23.08 14.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.267 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.778 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -160.55 -174.64 4.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.587 -179.818 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 53.6 mt-30 -76.73 -44.3 33.83 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 121.041 0.448 . . . . 0.0 110.508 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.06 -42.44 98.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.266 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 49' ' ' GLU . 2.0 m -61.1 -44.42 98.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.91 -0.316 . . . . 0.0 110.967 -179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.841 HG22 ' CG2' ' A' ' 47' ' ' ILE . 3.8 t -48.52 -54.59 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.139 0 CA-C-O 120.93 0.395 . . . . 0.0 111.246 -179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.405 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 1.0 OUTLIER -54.8 -32.51 60.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.057 0.456 . . . . 0.0 109.972 179.544 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 59' ' ' THR . 0.0 OUTLIER -77.28 -42.88 35.28 Favored 'General case' 0 N--CA 1.452 -0.338 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.362 179.302 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.914 ' HB ' HD12 ' C' ' 10' ' ' ILE . 4.2 p -65.67 -49.25 78.84 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 179.468 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.43 ' HA ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -60.66 -24.51 65.63 Favored 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 109.351 -0.611 . . . . 0.0 109.351 178.27 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.405 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 11.7 mt-10 -87.25 -35.24 18.61 Favored 'General case' 0 CA--C 1.529 0.143 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.601 179.393 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.997 HG21 HG22 ' C' ' 10' ' ' ILE . 85.5 m -63.59 -28.66 70.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.748 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD13 ' HD2' ' A' ' 76' ' ' PHE . 1.0 OUTLIER -86.88 -27.77 23.23 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.848 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.22 96.05 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.153 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -123.94 -43.68 2.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.738 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -139.73 40.22 2.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.728 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.84 6.68 25.78 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.827 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 58.49 23.69 11.03 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.778 0.323 . . . . 0.0 110.875 -179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.38 7.54 26.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.829 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.418 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 3.0 mt-10 -136.24 -177.37 4.68 Favored 'General case' 0 N--CA 1.452 -0.365 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 179.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.497 ' HA ' ' HG3' ' A' ' 72' ' ' GLU . 0.1 OUTLIER -112.07 99.25 7.93 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.072 -179.811 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.735 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.8 OUTLIER -95.31 -174.65 3.26 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.306 -0.628 . . . . 0.0 109.306 178.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.559 ' HB2' ' CE2' ' A' ' 14' ' ' PHE . 16.5 t80 -59.12 -19.87 48.51 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.214 0.531 . . . . 0.0 110.469 178.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.44 HE21 HG23 ' B' ' 82' ' ' THR . 9.0 mm100 -66.52 -40.04 88.96 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.651 -0.704 . . . . 0.0 110.372 179.741 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.497 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 16.4 mm-40 -73.41 -29.43 62.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.151 179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.632 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.4 OUTLIER -52.65 -50.22 63.62 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.912 -0.585 . . . . 0.0 109.829 178.53 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.563 ' SD ' HG21 ' B' ' 81' ' ' THR . 17.6 mmt -59.74 -57.19 14.0 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.424 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.24 -32.37 68.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.918 179.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.456 ' HD2' HD13 ' A' ' 60' ' ' LEU . 3.6 t80 -60.34 -74.69 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.666 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.632 HG22 ' O ' ' A' ' 73' ' ' PHE . 2.4 m -58.56 -28.58 36.88 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.044 -0.526 . . . . 0.0 111.332 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' B' ' 74' ' ' MET . . . -76.24 -47.77 22.69 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -178.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 31.6 mtm -70.35 -59.03 3.1 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.175 0.512 . . . . 0.0 110.754 -179.15 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.623 HG22 ' CE2' ' C' ' 7' ' ' TRP . 96.1 t -51.46 -35.2 16.29 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-N 115.522 -0.763 . . . . 0.0 111.286 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.828 HG23 ' HB3' ' A' ' 85' ' ' HIS . 2.0 m -71.22 -60.23 2.35 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.346 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.59 ' O ' ' HB2' ' A' ' 86' ' ' GLU . 34.0 m -43.16 -26.52 0.17 Allowed 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 115.714 -0.676 . . . . 0.0 112.539 -178.629 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.77 ' HB1' HG22 ' C' ' 5' ' ' ILE . . . -83.57 -70.89 0.53 Allowed 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.656 -0.418 . . . . 0.0 111.591 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.407 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 0.5 OUTLIER -88.86 -56.05 3.45 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.669 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.828 ' HB3' HG23 ' A' ' 81' ' ' THR . 1.7 t-160 -53.18 -19.77 3.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.128 0.489 . . . . 0.0 110.327 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.59 ' HB2' ' O ' ' A' ' 82' ' ' THR . 1.4 tm-20 -52.96 -64.28 0.87 Allowed 'General case' 0 N--CA 1.452 -0.366 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.084 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -118.87 -27.63 5.75 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.554 179.715 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.407 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 8.1 m-85 -79.97 -19.86 46.9 Favored 'General case' 0 N--CA 1.454 -0.266 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.792 179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.408 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 68.49 -66.28 0.24 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-O 120.742 0.306 . . . . 0.0 111.107 179.777 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -130.67 -59.5 1.01 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.95 -179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 . . . . . 0 C--O 1.248 0.998 0 CA-C-O 118.23 -0.89 . . . . 0.0 110.95 179.974 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.488 1.439 0 CA-C-O 120.84 0.352 . . . . 0.0 111.174 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -58.68 -23.7 59.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.071 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -60.09 -62.59 1.75 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -63.87 -40.93 97.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.146 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 1.5 mtpp -57.13 -61.65 2.31 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.097 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.614 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -56.83 -35.89 69.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.399 -179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.564 ' O ' HG13 ' B' ' 11' ' ' ILE . 2.0 ttt -59.11 -55.28 37.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.79 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.637 ' HA ' HG13 ' B' ' 11' ' ' ILE . 21.8 t -73.36 -28.47 25.62 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.904 -179.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . . . . . . . . . . . -54.61 -42.84 71.62 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.457 0.646 . . . . 0.0 109.803 179.523 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.5 mt -65.89 -59.63 3.66 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.144 178.544 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.637 HG13 ' HA ' ' B' ' 8' ' ' VAL . 0.4 OUTLIER -48.11 -36.99 6.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 114.981 -1.009 . . . . 0.0 110.667 179.244 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.79 -42.83 72.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.285 179.639 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.843 HG12 ' HG ' ' B' ' 35' ' ' LEU . 6.8 t -63.7 -46.91 93.33 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.364 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.83 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.594 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -76.71 -24.51 53.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-O 120.753 0.311 . . . . 0.0 111.151 -179.743 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.422 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 18.5 t-80 -81.33 -18.18 46.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.068 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -83.84 -43.97 14.81 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.858 0.361 . . . . 0.0 110.205 179.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.771 ' CD1' HD11 ' B' ' 35' ' ' LEU . 3.0 m-85 -83.42 -58.55 2.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.174 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.646 ' HB2' HD11 ' B' ' 27' ' ' LEU . 0.5 OUTLIER -58.29 114.3 2.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.901 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 135.53 -44.22 1.19 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.46 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -59.43 -43.55 93.05 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.805 0.336 . . . . 0.0 110.99 -179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 29.9 mt-10 -146.29 80.23 1.56 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 167.76 -156.76 28.65 Favored Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.65 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -85.06 -7.7 59.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.501 0.191 . . . . 0.0 111.392 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt 69.84 49.49 0.52 Allowed 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 121.051 0.453 . . . . 0.0 110.746 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.41 ' C ' ' HE2' ' B' ' 26' ' ' LYS . 8.8 t-160 -171.47 -34.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.734 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.744 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -111.39 163.37 14.07 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.373 -179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.692 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.3 mm? -131.91 139.74 48.83 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.142 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.86 -177.43 3.37 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-O 120.911 0.386 . . . . 0.0 111.599 -179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . . . . . . . . . 2.7 mttm -52.72 -26.4 13.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.972 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 1.4 m -83.11 -43.83 15.8 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.656 179.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.607 ' O ' HD22 ' B' ' 35' ' ' LEU . 1.5 mp0 -81.52 -64.24 1.23 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.408 -179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.579 HD13 ' C ' ' B' ' 32' ' ' LEU . 3.4 tm? -44.04 -56.86 3.7 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 120.722 0.296 . . . . 0.0 111.451 -179.548 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.569 ' HD3' HG11 ' B' ' 53' ' ' VAL . 74.0 mttt -59.32 -45.73 90.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.883 179.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.448 ' O ' ' HB2' ' B' ' 38' ' ' ASN . 0.5 OUTLIER -43.09 -45.97 5.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.235 -179.635 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.843 ' HG ' HG12 ' B' ' 13' ' ' VAL . 2.2 mm? -66.22 -38.6 88.31 Favored 'General case' 0 CA--C 1.509 -0.601 0 CA-C-O 121.262 0.553 . . . . 0.0 110.298 179.283 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 1.0 HG23 HD13 ' B' ' 40' ' ' LEU . 0.3 OUTLIER -54.66 -56.69 9.17 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.785 0 CA-C-N 115.311 -0.858 . . . . 0.0 108.98 178.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.515 ' N ' HG22 ' B' ' 36' ' ' ILE . 1.5 p30 -69.93 -22.67 63.17 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.034 -0.53 . . . . 0.0 109.695 177.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.536 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 64.7 t-20 -67.37 -45.72 75.44 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.807 178.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -175.68 61.85 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 112.127 0.418 . . . . 0.0 112.127 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 1.0 HD13 HG23 ' B' ' 36' ' ' ILE . 1.0 OUTLIER -79.63 -15.16 58.12 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 120.983 -0.287 . . . . 0.0 111.532 179.478 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . 0.491 ' N ' HD23 ' B' ' 40' ' ' LEU . 1.0 OUTLIER 165.24 -62.29 0.0 OUTLIER 'General case' 0 N--CA 1.462 0.162 0 CA-C-O 120.897 0.379 . . . . 0.0 110.487 -179.876 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 12.3 p80 -138.56 -46.67 0.5 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.019 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . 0.492 ' HB3' HD23 ' B' ' 44' ' ' LEU . 1.2 t80 -160.24 -67.5 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.341 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.492 HD23 ' HB3' ' B' ' 43' ' ' PHE . 0.7 OUTLIER -143.6 56.96 1.36 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.892 0.377 . . . . 0.0 111.139 -179.611 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.568 ' N ' HD11 ' B' ' 40' ' ' LEU . 0.4 OUTLIER -70.52 -67.85 0.47 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.12 179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -64.06 -14.16 52.45 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.861 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.864 HG23 HD13 ' B' ' 36' ' ' ILE . 10.3 pt -122.32 77.04 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-O 121.104 0.478 . . . . 0.0 110.733 179.462 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.49 -23.08 14.78 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.263 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.768 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.2 OUTLIER -160.51 -174.61 4.56 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.532 -179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -76.66 -44.4 34.05 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.114 0.483 . . . . 0.0 110.513 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.97 -42.49 98.4 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.346 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.461 HG22 ' O ' ' B' ' 49' ' ' GLU . 2.0 m -61.11 -44.39 98.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 C-N-CA 120.883 -0.327 . . . . 0.0 110.994 -179.73 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.845 HG22 ' CG2' ' B' ' 47' ' ' ILE . 3.8 t -48.48 -54.62 4.25 Favored 'Isoleucine or valine' 0 N--CA 1.457 -0.107 0 CA-C-O 120.868 0.366 . . . . 0.0 111.308 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 1.0 OUTLIER -54.81 -32.54 60.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.077 0.465 . . . . 0.0 109.948 179.518 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' B' ' 59' ' ' THR . 0.0 OUTLIER -77.29 -42.81 35.52 Favored 'General case' 0 N--CA 1.453 -0.314 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.409 179.275 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.939 ' HB ' HD12 ' D' ' 10' ' ' ILE . 4.2 p -65.65 -49.27 78.81 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.137 0 N-CA-C 110.088 -0.338 . . . . 0.0 110.088 179.39 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.443 ' HA ' HD12 ' B' ' 60' ' ' LEU . 0.5 OUTLIER -60.59 -24.56 65.55 Favored 'General case' 0 CA--C 1.53 0.173 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 178.187 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 11.6 mt-10 -87.28 -35.14 18.63 Favored 'General case' 0 C--O 1.232 0.134 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.594 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 1.038 HG21 HG22 ' D' ' 10' ' ' ILE . 85.9 m -63.69 -28.59 70.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.799 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.462 HD13 ' HD2' ' B' ' 76' ' ' PHE . 1.0 OUTLIER -86.96 -27.67 23.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.875 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -47.2 96.02 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.25 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 35.1 t30 -123.97 -43.64 2.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.732 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -139.65 40.16 2.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.74 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.95 6.87 25.58 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.693 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 1.7 t0 58.47 23.56 10.84 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.78 0.324 . . . . 0.0 110.886 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 110.4 7.59 26.1 Favored Glycine 0 CA--C 1.519 0.328 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.83 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.406 ' HB3' ' HB3' ' B' ' 26' ' ' LYS . 3.0 mt-10 -136.21 -177.43 4.7 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 110.023 -0.362 . . . . 0.0 110.023 179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.474 ' HA ' ' HG3' ' B' ' 72' ' ' GLU . 0.1 OUTLIER -111.94 99.27 7.97 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.164 -179.86 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.744 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.8 OUTLIER -95.28 -174.68 3.28 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 109.333 -0.618 . . . . 0.0 109.333 178.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.563 ' HB2' ' CE2' ' B' ' 14' ' ' PHE . 16.4 t80 -59.08 -19.88 48.4 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.142 0.496 . . . . 0.0 110.436 178.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.448 HE21 HG23 ' A' ' 82' ' ' THR . 8.9 mm100 -66.43 -40.19 89.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.699 -0.682 . . . . 0.0 110.365 179.727 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.474 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 16.4 mm-40 -73.4 -29.41 62.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.1 179.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.633 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.4 OUTLIER -52.65 -50.28 63.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.777 178.592 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.565 ' SD ' HG21 ' A' ' 81' ' ' THR . 17.6 mmt -59.72 -57.1 14.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.392 179.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -58.33 -32.4 68.47 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.919 179.599 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.462 ' HD2' HD13 ' B' ' 60' ' ' LEU . 3.7 t80 -60.22 -74.75 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.639 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.633 HG22 ' O ' ' B' ' 73' ' ' PHE . 2.4 m -58.52 -28.6 36.75 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.34 -179.779 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.443 ' CB ' ' HB3' ' A' ' 74' ' ' MET . . . -76.33 -47.57 23.03 Favored 'General case' 0 C--N 1.328 -0.368 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -178.753 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 31.5 mtm -70.43 -58.98 3.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.2 0.524 . . . . 0.0 110.776 -179.298 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.626 HG22 ' CE2' ' D' ' 7' ' ' TRP . 95.3 t -51.51 -35.15 16.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.267 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.836 HG23 ' HB3' ' B' ' 85' ' ' HIS . 1.9 m -71.35 -60.19 2.36 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.32 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.588 ' O ' ' HB2' ' B' ' 86' ' ' GLU . 34.5 m -43.11 -26.51 0.16 Allowed 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 115.773 -0.649 . . . . 0.0 112.584 -178.702 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.796 ' HB1' HG22 ' D' ' 5' ' ' ILE . . . -83.61 -70.85 0.53 Allowed 'General case' 0 C--N 1.321 -0.633 0 C-N-CA 120.71 -0.396 . . . . 0.0 111.595 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.411 ' O ' ' N ' ' B' ' 88' ' ' PHE . 0.5 OUTLIER -88.88 -56.13 3.41 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.696 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.836 ' HB3' HG23 ' B' ' 81' ' ' THR . 1.7 t-160 -53.21 -19.72 3.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.12 0.486 . . . . 0.0 110.314 -179.837 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.588 ' HB2' ' O ' ' B' ' 82' ' ' THR . 1.4 tm-20 -53.01 -64.25 0.88 Allowed 'General case' 0 N--CA 1.45 -0.442 0 CA-C-N 115.539 -0.755 . . . . 0.0 111.126 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -118.86 -27.61 5.76 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.576 179.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.411 ' N ' ' O ' ' B' ' 84' ' ' CYS . 8.1 m-85 -80.09 -19.81 46.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.735 179.446 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.416 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 0.0 OUTLIER 68.46 -66.23 0.24 Allowed 'General case' 0 N--CA 1.461 0.118 0 CA-C-O 120.77 0.319 . . . . 0.0 111.152 179.752 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -130.73 -59.4 1.01 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.965 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.254 -0.879 . . . . 0.0 110.937 -179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . 0.51 ' O ' ' HA ' ' A' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.371 0 CA-C-O 120.675 0.274 . . . . 0.0 111.256 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 44.8 mtm180 -101.09 -74.78 0.6 Allowed 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.722 -0.391 . . . . 0.0 111.402 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 23.5 p -102.87 -10.83 18.73 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 113.097 0.777 . . . . 0.0 113.097 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 1.096 ' O ' HG23 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -101.45 -63.81 1.11 Allowed 'General case' 0 C--O 1.224 -0.244 0 N-CA-C 112.443 0.534 . . . . 0.0 112.443 -177.881 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 1.096 HG23 ' O ' ' C' ' 4' ' ' LYS . 0.0 OUTLIER 114.1 34.44 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 1.0 0 C-N-CA 125.598 1.559 . . . . 0.0 110.489 -179.077 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.431 ' N ' ' HD3' ' C' ' 4' ' ' LYS . 4.5 p-10 -69.25 70.6 0.25 Allowed 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.026 179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.743 ' CE3' HG21 ' C' ' 10' ' ' ILE . 20.3 m0 -52.19 -53.64 40.7 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-O 121.052 0.453 . . . . 0.0 109.837 179.356 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.843 ' HB3' HG23 ' A' ' 59' ' ' THR . 0.3 OUTLIER -178.4 -92.06 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.678 179.019 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.443 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -97.85 -39.37 9.04 Favored 'General case' 0 CA--C 1.531 0.232 0 N-CA-C 112.141 0.422 . . . . 0.0 112.141 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.997 HG22 HG21 ' A' ' 59' ' ' THR . 2.0 tt -56.13 -60.85 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 112.479 0.548 . . . . 0.0 112.479 -178.26 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.747 ' HG ' HG12 ' C' ' 5' ' ' ILE . 4.5 mm? -92.95 -15.94 25.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.779 0.323 . . . . 0.0 110.632 -179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.455 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 11.6 p . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.144 -0.931 . . . . 0.0 111.313 179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . 0.512 ' O ' ' HA ' ' B' ' 83' ' ' ALA . 0.4 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.642 0.258 . . . . 0.0 111.204 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 44.9 mtm180 -101.05 -74.89 0.6 Allowed 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.708 -0.397 . . . . 0.0 111.382 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 23.6 p -102.81 -10.83 18.77 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 -179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 1.107 ' O ' HG23 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -101.47 -63.79 1.11 Allowed 'General case' 0 C--O 1.225 -0.197 0 N-CA-C 112.389 0.514 . . . . 0.0 112.389 -177.832 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 1.107 HG23 ' O ' ' D' ' 4' ' ' LYS . 0.0 OUTLIER 114.12 34.45 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.479 0.992 0 C-N-CA 125.579 1.552 . . . . 0.0 110.442 -179.109 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.426 ' N ' ' HD3' ' D' ' 4' ' ' LYS . 4.4 p-10 -69.33 70.64 0.26 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.045 179.499 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.736 ' CE3' HG21 ' D' ' 10' ' ' ILE . 20.4 m0 -52.19 -53.62 41.05 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.064 0.459 . . . . 0.0 109.834 179.383 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.823 ' HB3' HG23 ' B' ' 59' ' ' THR . 0.3 OUTLIER -178.4 -92.08 0.0 OUTLIER 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.635 179.006 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . 0.444 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -97.89 -39.43 9.0 Favored 'General case' 0 CA--C 1.532 0.257 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -179.81 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 1.038 HG22 HG21 ' B' ' 59' ' ' THR . 2.0 tt -56.05 -60.88 1.4 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.312 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.74 ' HG ' HG12 ' D' ' 5' ' ' ILE . 4.5 mm? -93.01 -15.82 25.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.671 -179.783 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.456 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 11.4 p . . . . . 0 C--O 1.248 1.005 0 CA-C-O 118.261 -0.876 . . . . 0.0 111.419 179.499 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 48.4 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.735 0.302 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.741 ' HG2' ' HB1' ' B' ' 9' ' ' ALA . 6.6 mt-10 -59.49 -23.67 62.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.155 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.709 HD13 HD11 ' B' ' 40' ' ' LEU . 0.5 OUTLIER -71.91 -25.27 61.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.955 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 6.9 tt0 -79.56 -47.56 15.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.478 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -71.57 -46.8 58.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.081 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.557 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -60.67 -35.75 77.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.934 179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.454 ' HE1' HG21 ' B' ' 81' ' ' THR . 0.0 OUTLIER -61.28 -63.4 1.3 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.504 179.632 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 25.5 t -68.36 -23.62 28.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.393 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.767 ' HB1' ' HG2' ' B' ' 2' ' ' GLU . . . -58.7 -40.85 84.82 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.426 0.631 . . . . 0.0 109.619 179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.562 HD12 ' CE ' ' A' ' 74' ' ' MET . 3.3 mt -67.78 -44.91 76.29 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.826 178.71 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.466 HG12 ' CE1' ' A' ' 70' ' ' PHE . 5.1 mt -58.09 -42.87 84.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.917 179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -54.07 -42.82 69.74 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.505 HG12 ' HG ' ' A' ' 35' ' ' LEU . 15.4 t -57.64 -56.57 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.416 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.606 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -69.91 -27.91 65.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.784 -179.829 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.442 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 26.1 t60 -75.14 -18.82 60.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.184 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.18 -47.14 11.15 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.912 0.387 . . . . 0.0 110.3 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.787 ' CD1' HD21 ' A' ' 35' ' ' LEU . 3.6 m-85 -83.58 -62.18 1.65 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.134 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.71 122.3 11.1 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.085 -179.78 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.43 35.13 1.8 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.09 -32.22 8.8 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.932 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mm-40 -90.03 -69.36 0.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.942 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.53 -39.09 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.539 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -60.31 -52.69 64.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.794 0.33 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' A' ' 25' ' ' HIS . 13.7 tmtt? 57.95 164.33 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.454 ' O ' ' HB3' ' A' ' 69' ' ' ASP . 10.7 t-160 84.73 -35.51 0.05 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.707 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.821 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.14 158.79 17.95 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.696 0.284 . . . . 0.0 110.263 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.809 HD23 ' HB3' ' A' ' 31' ' ' GLU . 4.5 mp -135.42 137.84 42.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.001 0.429 . . . . 0.0 111.053 -179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.411 ' HA ' ' HG2' ' A' ' 67' ' ' GLU . 9.6 pttm -92.03 174.9 7.08 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.44 -179.467 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' O ' ' CB ' ' A' ' 33' ' ' LYS . 1.1 mptt -49.19 -29.17 5.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.097 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.406 ' O ' ' HB2' ' A' ' 34' ' ' GLU . 1.1 p -84.07 -28.16 27.78 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.767 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.809 ' HB3' HD23 ' A' ' 27' ' ' LEU . 1.2 mt-10 -80.12 -69.46 0.59 Allowed 'General case' 0 C--N 1.331 -0.217 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.846 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.546 HD12 ' C ' ' A' ' 32' ' ' LEU . 0.9 OUTLIER -54.02 -45.92 71.68 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.834 0.35 . . . . 0.0 111.307 -179.213 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.797 ' HG3' HG11 ' A' ' 53' ' ' VAL . 12.8 ttmt -62.69 -40.43 97.11 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.995 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.486 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -49.02 -46.2 43.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.75 -179.688 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.787 HD21 ' CD1' ' A' ' 17' ' ' TYR . 3.4 mm? -67.44 -42.11 83.65 Favored 'General case' 0 CA--C 1.507 -0.698 0 CA-C-O 121.236 0.541 . . . . 0.0 110.972 -179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.952 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.9 mt -58.37 -36.38 58.23 Favored 'Isoleucine or valine' 0 C--N 1.309 -1.168 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.806 179.248 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.65 -17.47 25.46 Favored 'General case' 0 C--N 1.319 -0.76 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.641 178.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.476 ' N ' ' O ' ' A' ' 34' ' ' GLU . 57.7 t30 -92.66 -20.19 21.09 Favored 'General case' 0 CA--C 1.529 0.135 0 CA-C-N 116.429 -0.351 . . . . 0.0 111.284 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 35' ' ' LEU . 81.5 mm-40 -134.93 -32.13 0.98 Allowed 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.952 HD12 ' HA ' ' A' ' 36' ' ' ILE . 2.0 mt -100.24 32.11 3.13 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.893 0.378 . . . . 0.0 111.07 -179.562 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -46.25 62.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.63 -17.75 57.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.386 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.33 104.62 5.03 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.961 0.41 . . . . 0.0 111.189 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 48' ' ' LYS . 0.5 OUTLIER -101.68 120.47 40.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.6 179.744 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.06 -45.64 0.78 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.004 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.504 ' O ' HD12 ' A' ' 47' ' ' ILE . 39.5 mt-10 -91.41 2.19 56.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.577 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.025 HG23 HG22 ' A' ' 53' ' ' VAL . 0.4 OUTLIER -179.6 147.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.87 0.366 . . . . 0.0 110.362 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.854 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -130.43 -86.28 0.52 Allowed 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.058 -179.759 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.829 ' O ' HG22 ' A' ' 52' ' ' VAL . 0.4 OUTLIER -79.19 146.63 33.0 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.762 0.315 . . . . 0.0 110.926 179.913 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 63.5 mt-30 -51.99 -38.21 55.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.114 0.483 . . . . 0.0 110.811 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.49 -42.57 96.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.815 -0.629 . . . . 0.0 111.411 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.854 HG21 ' HG2' ' A' ' 48' ' ' LYS . 9.5 m -70.6 -37.69 70.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 C-N-CA 120.965 -0.294 . . . . 0.0 111.374 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.025 HG22 HG23 ' A' ' 47' ' ' ILE . 2.4 t -57.8 -28.99 34.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.685 0.279 . . . . 0.0 110.985 -179.607 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . 0.423 ' O ' ' HB2' ' A' ' 58' ' ' GLU . 0.2 OUTLIER -72.75 -50.54 23.89 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 178.632 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.487 ' O ' ' N ' ' A' ' 59' ' ' THR . 10.3 ttmt -64.32 -45.43 87.93 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.365 178.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.774 ' CG1' ' HA ' ' A' ' 53' ' ' VAL . 10.4 p -63.15 -51.96 64.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.887 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.53 ' HE2' HD23 ' A' ' 32' ' ' LEU . 0.5 OUTLIER -61.47 -25.62 67.36 Favored 'General case' 0 C--O 1.231 0.108 0 CA-C-O 121.151 0.501 . . . . 0.0 109.675 178.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 54' ' ' ASP . 22.6 mt-10 -86.6 -26.25 24.53 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.437 179.106 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.567 HG23 ' H ' ' C' ' 9' ' ' LYS . 54.2 m -75.71 -24.32 56.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.951 -179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.629 HD13 ' CE2' ' A' ' 76' ' ' PHE . 0.8 OUTLIER -95.93 -16.96 21.41 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.294 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -46.77 101.14 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.762 0.315 . . . . 0.0 111.258 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.7 t30 -107.89 -54.2 2.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.874 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -141.07 37.68 1.75 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.21 7.28 26.93 Favored Glycine 0 N--CA 1.453 -0.216 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.69 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 3.9 t70 58.62 31.92 21.61 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.847 0.356 . . . . 0.0 110.863 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.45 28.44 10.52 Favored Glycine 0 N--CA 1.45 -0.403 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.509 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.448 ' HG2' ' O ' ' A' ' 27' ' ' LEU . 2.5 mt-10 -137.65 172.43 12.97 Favored 'General case' 0 N--CA 1.451 -0.421 0 CA-C-O 120.876 0.37 . . . . 0.0 110.485 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.457 ' HB2' ' CD2' ' A' ' 32' ' ' LEU . 1.7 t -111.63 86.81 2.41 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.0 179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.821 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -76.15 -173.95 2.57 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 179.451 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.606 ' HB2' ' CD2' ' A' ' 14' ' ' PHE . 29.7 t80 -66.97 -33.09 74.82 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 120.928 0.394 . . . . 0.0 110.783 -179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.458 ' HA ' HG22 ' B' ' 82' ' ' THR . 8.0 pt20 -76.23 -23.48 54.55 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.375 -179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 31.0 mm-40 -84.33 -37.28 21.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.794 0.33 . . . . 0.0 111.105 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.537 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -82.84 -22.95 33.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.477 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.61 ' HB2' HG22 ' B' ' 82' ' ' THR . 0.0 OUTLIER -72.13 -47.88 47.78 Favored 'General case' 0 N--CA 1.454 -0.246 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.789 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.502 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -67.87 -23.68 65.16 Favored 'General case' 0 N--CA 1.452 -0.371 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 178.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.738 ' CE1' HG21 ' A' ' 80' ' ' VAL . 1.0 OUTLIER -63.95 -72.12 0.15 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.595 -0.73 . . . . 0.0 110.758 179.422 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.427 HG23 ' OE2' ' A' ' 46' ' ' GLU . 2.6 p -44.93 -32.27 0.9 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-O 121.224 0.535 . . . . 0.0 110.76 -179.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.645 ' O ' HG23 ' A' ' 82' ' ' THR . . . -85.31 -40.04 17.0 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.403 -179.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.542 ' CE ' HD11 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -72.14 -44.09 63.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 0.0 111.035 -179.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.738 HG21 ' CE1' ' A' ' 76' ' ' PHE . 59.4 t -68.57 -38.27 78.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.411 179.398 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.424 HG21 ' HE1' ' B' ' 7' ' ' MET . 8.5 m -70.36 -59.79 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.034 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.645 HG23 ' O ' ' A' ' 78' ' ' ALA . 68.8 p -50.11 -24.95 3.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.003 -179.257 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.512 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -75.81 -72.68 0.3 Allowed 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 111.977 0.362 . . . . 0.0 111.977 -179.414 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 5.1 p -87.99 -54.08 4.41 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.25 0.463 . . . . 0.0 112.25 -178.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.464 ' O ' ' HB3' ' A' ' 89' ' ' GLU . 0.9 OUTLIER -44.7 -24.61 0.21 Allowed 'General case' 0 N--CA 1.463 0.213 0 CA-C-O 121.018 0.437 . . . . 0.0 110.796 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.416 ' HG2' ' CE1' ' B' ' 25' ' ' HIS . 1.2 tm-20 -50.64 -63.69 1.04 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.135 179.429 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.38 -21.23 10.48 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.994 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 9.3 m-85 -80.16 -11.87 59.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.581 -0.281 . . . . 0.0 111.222 179.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.464 ' HB3' ' O ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER -48.79 -53.18 20.22 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-O 120.826 0.346 . . . . 0.0 110.954 179.761 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 71.42 -55.57 0.65 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.041 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.25 1.083 0 CA-C-O 118.227 -0.892 . . . . 0.0 110.853 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 49.2 m . . . . . 0 N--CA 1.487 1.416 0 CA-C-O 120.808 0.337 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.767 ' HG2' ' HB1' ' A' ' 9' ' ' ALA . 6.5 mt-10 -59.57 -23.67 63.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.021 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.674 HD13 HD11 ' A' ' 40' ' ' LEU . 0.5 OUTLIER -71.9 -25.2 61.82 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.024 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -79.64 -47.57 15.19 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.482 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -71.48 -46.83 58.77 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.067 -179.858 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.557 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -60.66 -35.85 77.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.776 0.322 . . . . 0.0 110.886 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.44 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.0 OUTLIER -61.26 -63.43 1.29 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.466 179.68 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . 0.4 ' HA ' HD12 ' B' ' 11' ' ' ILE . 25.5 t -68.34 -23.67 28.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.311 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.741 ' HB1' ' HG2' ' A' ' 2' ' ' GLU . . . -58.73 -40.75 84.66 Favored 'General case' 0 C--O 1.233 0.228 0 CA-C-O 121.361 0.601 . . . . 0.0 109.551 179.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.571 HD12 ' CE ' ' B' ' 74' ' ' MET . 3.3 mt -67.91 -44.77 76.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.816 178.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.463 HG12 ' CE1' ' B' ' 70' ' ' PHE . 5.2 mt -58.23 -42.79 84.42 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.392 0 CA-C-N 115.605 -0.725 . . . . 0.0 110.891 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -54.09 -42.97 69.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.871 179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.519 HG12 ' HG ' ' B' ' 35' ' ' LEU . 15.1 t -57.42 -56.63 14.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.532 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.607 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -69.88 -27.89 65.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.79 -179.823 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.44 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 26.4 t60 -75.22 -18.78 60.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.123 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -84.2 -47.06 11.22 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 0.0 110.327 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.787 ' CD1' HD21 ' B' ' 35' ' ' LEU . 3.6 m-85 -83.51 -62.42 1.58 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.114 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.48 122.28 10.9 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 -179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 112.24 35.54 1.77 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.477 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.5 -32.04 8.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.849 0.357 . . . . 0.0 110.888 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 39.9 mm-40 -90.28 -69.37 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.4 -39.2 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.52 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 p-10 -60.25 -52.75 63.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.823 0.344 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.433 ' O ' ' CB ' ' B' ' 25' ' ' HIS . 13.7 tmtt? 58.09 164.25 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.915 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.463 ' O ' ' HB3' ' B' ' 69' ' ' ASP . 10.7 t-160 84.82 -35.59 0.05 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.678 179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.824 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.08 158.84 17.88 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.646 0.26 . . . . 0.0 110.301 -179.718 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.83 HD23 ' HB3' ' B' ' 31' ' ' GLU . 4.5 mp -135.49 137.79 42.48 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.965 0.412 . . . . 0.0 111.12 -179.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.409 ' HA ' ' HG2' ' B' ' 67' ' ' GLU . 9.6 pttm -91.99 174.88 7.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.401 -179.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.432 ' O ' ' CB ' ' B' ' 33' ' ' LYS . 1.1 mptt -49.06 -29.22 4.81 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.196 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.402 ' O ' ' HB2' ' B' ' 34' ' ' GLU . 1.1 p -84.1 -28.1 27.76 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.794 -179.555 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.83 ' HB3' HD23 ' B' ' 27' ' ' LEU . 1.2 mt-10 -80.19 -69.36 0.6 Allowed 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 112.21 0.448 . . . . 0.0 112.21 -178.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.55 HD12 ' C ' ' B' ' 32' ' ' LEU . 0.9 OUTLIER -54.1 -45.91 71.95 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.874 0.368 . . . . 0.0 111.297 -179.221 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.808 ' HG3' HG11 ' B' ' 53' ' ' VAL . 12.8 ttmt -62.78 -40.38 97.13 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.016 -179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 38' ' ' ASN . 0.0 OUTLIER -48.86 -46.34 42.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.696 -179.779 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.787 HD21 ' CD1' ' B' ' 17' ' ' TYR . 3.4 mm? -67.28 -42.31 84.01 Favored 'General case' 0 CA--C 1.507 -0.686 0 CA-C-O 121.38 0.609 . . . . 0.0 110.913 -179.557 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.973 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.9 mt -58.36 -36.4 58.26 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.089 0 CA-C-N 115.232 -0.894 . . . . 0.0 109.798 179.376 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -91.48 -17.49 25.64 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-N 115.321 -0.854 . . . . 0.0 110.737 178.438 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.473 ' N ' ' O ' ' B' ' 34' ' ' GLU . 57.8 t30 -92.68 -20.19 21.07 Favored 'General case' 0 N--CA 1.461 0.098 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.275 -179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' B' ' 35' ' ' LEU . 81.4 mm-40 -134.95 -32.23 0.98 Allowed 'General case' 0 CA--C 1.53 0.187 0 N-CA-C 112.077 0.399 . . . . 0.0 112.077 -179.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.973 HD12 ' HA ' ' B' ' 36' ' ' ILE . 2.0 mt -100.17 32.08 3.12 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.835 0.35 . . . . 0.0 111.126 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -70.99 -46.25 62.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.839 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -77.52 -17.89 57.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.38 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -139.28 104.55 5.02 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.901 0.382 . . . . 0.0 111.205 -179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.64 HD13 ' HB3' ' B' ' 48' ' ' LYS . 0.5 OUTLIER -101.62 120.46 40.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.652 179.699 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -134.0 -45.61 0.79 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.008 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.512 ' O ' HD12 ' B' ' 47' ' ' ILE . 39.5 mt-10 -91.5 2.31 56.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.608 -179.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 1.02 HG23 HG22 ' B' ' 53' ' ' VAL . 0.4 OUTLIER -179.7 147.24 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 120.787 0.327 . . . . 0.0 110.394 179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.881 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -130.46 -86.14 0.52 Allowed 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.096 -179.709 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.805 ' O ' HG22 ' B' ' 52' ' ' VAL . 0.4 OUTLIER -79.24 146.69 32.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.8 0.333 . . . . 0.0 110.842 179.901 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -52.06 -38.11 56.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.064 0.459 . . . . 0.0 110.764 179.701 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -60.66 -42.46 97.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.363 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.881 HG21 ' HG2' ' B' ' 48' ' ' LYS . 9.8 m -70.66 -37.77 70.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.925 -0.31 . . . . 0.0 111.285 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 1.02 HG22 HG23 ' B' ' 47' ' ' ILE . 2.4 t -57.63 -29.13 33.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.761 0.315 . . . . 0.0 111.036 -179.626 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . 0.413 ' O ' ' HB2' ' B' ' 58' ' ' GLU . 0.2 OUTLIER -72.58 -50.59 24.43 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 178.613 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.488 ' O ' ' N ' ' B' ' 59' ' ' THR . 10.3 ttmt -64.32 -45.48 87.71 Favored 'General case' 0 N--CA 1.451 -0.398 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.322 178.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.795 ' CG1' ' HA ' ' B' ' 53' ' ' VAL . 10.6 p -63.09 -52.07 63.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.528 ' N ' HG13 ' B' ' 56' ' ' VAL . 0.5 OUTLIER -61.41 -25.58 67.29 Favored 'General case' 0 N--CA 1.456 -0.145 0 CA-C-O 121.137 0.494 . . . . 0.0 109.707 178.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' B' ' 54' ' ' ASP . 22.6 mt-10 -86.65 -26.25 24.43 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.365 179.145 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.579 HG23 ' H ' ' D' ' 9' ' ' LYS . 54.0 m -75.64 -24.47 56.42 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.92 -179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.624 HD13 ' CE2' ' B' ' 76' ' ' PHE . 0.9 OUTLIER -95.9 -16.86 21.51 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.419 179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -46.81 101.12 0.02 OUTLIER 'General case' 0 C--O 1.232 0.142 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.217 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 25.0 t30 -107.95 -54.01 2.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 16.8 t0 -141.19 37.74 1.73 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.919 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -112.27 7.3 26.82 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.696 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 3.8 t70 58.6 31.82 21.49 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.829 0.347 . . . . 0.0 110.847 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 94.54 28.38 10.49 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.505 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' B' ' 27' ' ' LEU . 2.5 mt-10 -137.63 172.41 13.0 Favored 'General case' 0 N--CA 1.45 -0.429 0 CA-C-O 120.893 0.378 . . . . 0.0 110.477 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.465 ' HB2' ' CD2' ' B' ' 32' ' ' LEU . 1.7 t -111.63 86.85 2.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.996 179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.824 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -76.17 -174.06 2.62 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 179.448 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.607 ' HB2' ' CD2' ' B' ' 14' ' ' PHE . 29.4 t80 -66.89 -33.06 74.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.937 0.399 . . . . 0.0 110.807 -179.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.463 ' HA ' HG22 ' A' ' 82' ' ' THR . 8.0 pt20 -76.3 -23.37 54.33 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.396 -179.699 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . . . . . . . . . 30.8 mm-40 -84.46 -37.18 21.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.774 0.321 . . . . 0.0 111.094 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.53 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -82.88 -22.81 33.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.531 179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.597 ' HB2' HG22 ' A' ' 82' ' ' THR . 0.0 OUTLIER -72.19 -47.98 46.63 Favored 'General case' 0 C--N 1.328 -0.337 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 178.835 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.512 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -67.77 -23.91 65.28 Favored 'General case' 0 N--CA 1.45 -0.441 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 178.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.737 ' CE1' HG21 ' B' ' 80' ' ' VAL . 1.0 OUTLIER -63.84 -72.04 0.15 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.835 179.398 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.439 HG23 ' OE2' ' B' ' 46' ' ' GLU . 2.5 p -45.03 -32.23 0.92 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.195 0 CA-C-O 121.319 0.58 . . . . 0.0 110.767 -179.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.635 ' O ' HG23 ' B' ' 82' ' ' THR . . . -85.36 -39.88 17.13 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.386 -179.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.545 ' CE ' HD11 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -72.25 -44.16 63.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.98 0.419 . . . . 0.0 111.002 -179.153 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.737 HG21 ' CE1' ' B' ' 76' ' ' PHE . 60.3 t -68.47 -38.31 79.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.432 179.315 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.454 HG21 ' HE1' ' A' ' 7' ' ' MET . 8.5 m -70.28 -59.79 2.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.022 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.635 HG23 ' O ' ' B' ' 78' ' ' ALA . 69.1 p -50.2 -24.85 3.08 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.036 -0.529 . . . . 0.0 112.089 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.519 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -75.84 -72.72 0.3 Allowed 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 111.96 0.356 . . . . 0.0 111.96 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.473 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 5.2 p -87.88 -54.13 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -179.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.474 ' O ' ' HB3' ' B' ' 89' ' ' GLU . 0.9 OUTLIER -44.8 -24.5 0.21 Allowed 'General case' 0 N--CA 1.462 0.158 0 CA-C-O 121.046 0.45 . . . . 0.0 110.865 -179.925 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . 0.415 ' HG2' ' CE1' ' A' ' 25' ' ' HIS . 1.2 tm-20 -50.75 -63.5 1.11 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.187 179.394 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -114.43 -21.25 10.44 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.084 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.473 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 9.3 m-85 -80.17 -11.95 59.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 0.0 111.236 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.474 ' HB3' ' O ' ' B' ' 85' ' ' HIS . 0.0 OUTLIER -48.7 -53.29 19.41 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-O 120.854 0.359 . . . . 0.0 110.985 179.745 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 71.55 -55.74 0.65 Allowed 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.014 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.269 -0.872 . . . . 0.0 110.897 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.38 0 CA-C-O 120.795 0.331 . . . . 0.0 111.237 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -57.48 -71.38 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.028 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 74.7 p -98.98 -2.24 37.84 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.777 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.793 ' O ' HD12 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -82.23 -2.12 51.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.512 0.196 . . . . 0.0 110.722 179.453 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.794 HD13 ' CD1' ' C' ' 7' ' ' TRP . 2.0 pp 54.59 -7.67 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 N-CA-C 113.947 1.091 . . . . 0.0 113.947 -179.616 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.516 ' H ' ' C ' ' C' ' 4' ' ' LYS . 10.0 t70 69.22 -25.82 0.15 Allowed 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 114.67 1.359 . . . . 0.0 114.67 177.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.904 ' HE3' HG21 ' C' ' 10' ' ' ILE . 14.3 m95 -38.25 -51.88 1.48 Allowed 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 118.724 0.693 . . . . 0.0 110.462 -179.126 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.611 ' CB ' ' O ' ' C' ' 7' ' ' TRP . 21.1 t-20 117.03 -91.52 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.431 0.693 . . . . 0.0 112.851 178.199 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.567 ' H ' HG23 ' A' ' 59' ' ' THR . 0.0 OUTLIER -95.67 -36.44 11.21 Favored 'General case' 0 CA--C 1.533 0.31 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 -177.346 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.966 HG23 HD22 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -53.29 -60.17 1.4 Allowed 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 C-N-CA 120.546 -0.461 . . . . 0.0 110.775 -178.329 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.966 HD22 HG23 ' C' ' 10' ' ' ILE . 1.6 mm? -86.88 -12.59 47.34 Favored 'General case' 0 N--CA 1.448 -0.571 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 176.818 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.516 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.057 0 CA-C-N 115.012 -0.995 . . . . 0.0 111.061 179.784 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.398 0 CA-C-O 120.723 0.297 . . . . 0.0 111.182 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 32.7 mtt180 -57.51 -71.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.983 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 74.9 p -98.89 -2.38 37.79 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.729 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.793 ' O ' HD12 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -82.07 -2.18 51.0 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.489 0.185 . . . . 0.0 110.739 179.455 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.793 HD12 ' O ' ' D' ' 4' ' ' LYS . 2.0 pp 54.6 -7.68 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.501 0 N-CA-C 114.008 1.114 . . . . 0.0 114.008 -179.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.519 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 9.9 t70 69.29 -25.91 0.15 Allowed 'General case' 0 N--CA 1.47 0.573 0 N-CA-C 114.687 1.366 . . . . 0.0 114.687 177.219 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.879 ' HE3' HG21 ' D' ' 10' ' ' ILE . 14.4 m95 -38.21 -51.91 1.46 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 118.737 0.699 . . . . 0.0 110.472 -179.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.624 ' CB ' ' O ' ' D' ' 7' ' ' TRP . 21.1 t-20 116.95 -91.36 0.0 OUTLIER 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.489 0.716 . . . . 0.0 112.927 178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . 0.579 ' H ' HG23 ' B' ' 59' ' ' THR . 0.0 OUTLIER -95.8 -36.37 11.17 Favored 'General case' 0 CA--C 1.533 0.326 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 -177.291 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.972 HG23 HD22 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -53.27 -60.27 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.531 0.229 0 C-N-CA 120.519 -0.472 . . . . 0.0 110.794 -178.364 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.972 HD22 HG23 ' D' ' 10' ' ' ILE . 1.6 mm? -86.76 -12.63 47.56 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.469 -0.937 . . . . 0.0 108.469 176.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.514 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 0.7 OUTLIER . . . . . 0 C--O 1.25 1.086 0 CA-C-N 114.877 -1.056 . . . . 0.0 111.051 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 92.6 p . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.87 0.367 . . . . 0.0 111.173 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . 0.67 ' HB2' ' HB1' ' B' ' 9' ' ' ALA . 0.1 OUTLIER -66.02 -36.54 83.53 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.336 0.589 . . . . 0.0 110.792 179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.45 ' N ' ' HG2' ' A' ' 2' ' ' GLU . 0.1 OUTLIER -58.68 -22.73 57.83 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.387 -0.824 . . . . 0.0 110.788 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.68 -47.12 12.37 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.954 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.574 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -74.2 -37.76 63.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.0 111.061 -179.854 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.546 ' HB1' ' HB1' ' B' ' 6' ' ' ALA . . . -64.8 -45.61 85.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.943 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.456 ' O ' HG13 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -57.03 -55.04 39.84 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.098 0.475 . . . . 0.0 110.051 179.41 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 27.7 t -72.84 -20.72 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.92 -0.582 . . . . 0.0 111.371 179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.668 ' HB1' ' HB2' ' B' ' 2' ' ' GLU . . . -59.43 -43.35 93.1 Favored 'General case' 0 CA--C 1.516 -0.343 0 N-CA-C 109.008 -0.738 . . . . 0.0 109.008 178.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.405 ' HB3' ' CE1' ' A' ' 73' ' ' PHE . 3.5 mt -65.41 -46.34 80.39 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.187 -0.915 . . . . 0.0 109.386 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.456 HG13 ' O ' ' A' ' 7' ' ' MET . 8.1 mt -59.02 -37.13 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.423 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.787 179.459 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -56.35 -39.89 73.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.558 179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.643 HG12 ' HG ' ' A' ' 35' ' ' LEU . 9.4 t -62.48 -65.27 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.027 -0.533 . . . . 0.0 111.392 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.549 ' CD2' ' HB2' ' A' ' 70' ' ' PHE . 0.0 OUTLIER -61.14 -25.84 67.28 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 -179.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . 0.463 ' N ' ' CD1' ' A' ' 14' ' ' PHE . 41.9 t60 -77.03 -19.45 57.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.021 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.98 -45.59 12.96 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 120.977 0.418 . . . . 0.0 110.309 179.608 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.743 ' CG ' HD21 ' A' ' 35' ' ' LEU . 3.3 m-85 -83.2 -61.12 1.94 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.98 179.763 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -63.02 122.02 15.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.93 -35.67 1.57 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.606 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.95 -29.86 70.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.802 0.334 . . . . 0.0 110.914 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.52 -69.51 0.36 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.933 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.48 -41.06 0.16 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.508 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -66.93 -43.66 82.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.872 0.368 . . . . 0.0 111.007 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.44 19.42 10.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.424 ' C ' ' HE2' ' A' ' 26' ' ' LYS . 5.0 t-160 -134.87 -32.72 0.96 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.469 -0.332 . . . . 0.0 111.444 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.701 ' HE2' ' HB3' ' A' ' 69' ' ' ASP . 0.0 OUTLIER -110.94 160.63 16.62 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.622 HD13 ' O ' ' A' ' 68' ' ' CYS . 5.6 mp -135.18 139.09 44.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.044 0.45 . . . . 0.0 111.005 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -91.79 179.47 5.62 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.217 -179.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.5 ' N ' ' HE1' ' A' ' 57' ' ' MET . 0.0 OUTLIER -55.54 -23.19 25.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.135 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.08 -44.18 15.45 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.245 -179.84 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.45 ' HB3' HD23 ' A' ' 27' ' ' LEU . 2.3 mm-40 -72.93 -68.14 0.51 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.387 -0.369 . . . . 0.0 111.537 -179.382 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 33' ' ' LYS . 1.4 tm? -49.8 -64.78 0.7 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.57 -179.322 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.827 ' HG3' HG11 ' A' ' 53' ' ' VAL . 26.7 ttmt -46.83 -43.94 18.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.548 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.491 ' HB3' ' CZ ' ' A' ' 17' ' ' TYR . 0.3 OUTLIER -47.28 -47.77 25.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.58 -179.532 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.743 HD21 ' CG ' ' A' ' 17' ' ' TYR . 3.4 mm? -62.85 -50.26 71.65 Favored 'General case' 0 CA--C 1.504 -0.792 0 CA-C-O 121.351 0.596 . . . . 0.0 110.736 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.848 ' HA ' HD12 ' A' ' 40' ' ' LEU . 1.1 mt -47.42 -46.04 10.02 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.015 0 CA-C-N 115.033 -0.985 . . . . 0.0 109.636 179.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.31 -27.88 42.18 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.739 -0.664 . . . . 0.0 109.996 178.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.441 ' HB3' ' HA ' ' A' ' 35' ' ' LEU . 31.7 t30 -71.87 -30.47 65.45 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.641 179.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.407 ' N ' ' O ' ' A' ' 35' ' ' LEU . 5.4 mt-10 -109.08 -55.38 2.42 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.992 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.848 HD12 ' HA ' ' A' ' 36' ' ' ILE . 0.2 OUTLIER -89.44 51.08 2.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.902 0.382 . . . . 0.0 110.74 179.788 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 80.0 p -67.78 -62.06 1.59 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.967 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -96.13 41.12 1.11 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.979 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -150.53 -61.79 0.19 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.064 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.73 HD22 ' HA ' ' A' ' 48' ' ' LYS . 2.6 mt 61.32 89.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.799 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.554 ' HB2' HD22 ' A' ' 40' ' ' LEU . 2.8 mt-10 -111.57 -50.28 2.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.026 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.76 3.66 36.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.317 -0.401 . . . . 0.0 111.48 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 1.077 HD13 HG13 ' A' ' 53' ' ' VAL . 0.2 OUTLIER 175.61 149.36 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.927 0.394 . . . . 0.0 110.457 179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.888 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -121.36 -89.59 0.6 Allowed 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.52 -179.01 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.71 ' O ' HG22 ' A' ' 52' ' ' VAL . 17.5 mm-40 -73.31 155.45 39.44 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.819 0.342 . . . . 0.0 110.969 -179.789 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -61.81 -33.16 73.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.923 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.69 -44.5 85.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.524 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.937 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.8 m -66.38 -35.36 74.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.536 -179.343 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 1.077 HG13 HD13 ' A' ' 47' ' ' ILE . 2.4 t -55.73 -56.13 13.99 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.237 0 CA-C-O 120.588 0.232 . . . . 0.0 110.882 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.34 -39.51 57.16 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.038 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' A' ' 59' ' ' THR . 10.3 ttmt -67.55 -42.15 83.09 Favored 'General case' 0 N--CA 1.447 -0.584 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.539 178.235 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.937 HG23 ' O ' ' A' ' 52' ' ' VAL . 35.4 t -56.78 -62.2 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.521 -0.164 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.428 179.263 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.5 ' HE1' ' N ' ' A' ' 29' ' ' LYS . 29.4 mtp -57.06 -24.11 51.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.496 179.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.29 -27.21 23.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.323 179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.637 HG22 ' HB2' ' C' ' 8' ' ' ASN . 37.9 m -76.11 -28.63 57.58 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.321 -0.399 . . . . 0.0 111.027 -179.464 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.948 HD11 ' CD1' ' A' ' 76' ' ' PHE . 0.5 OUTLIER -80.88 -51.11 8.95 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.776 0.322 . . . . 0.0 110.697 179.817 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 t70 37.71 75.83 0.06 Allowed 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.919 179.552 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.401 ' HB2' ' HB2' ' A' ' 72' ' ' GLU . 1.7 m120 -76.01 -61.26 2.0 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.851 0.358 . . . . 0.0 110.811 179.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -174.76 35.65 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.84 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -117.95 7.74 14.86 Favored Glycine 0 CA--C 1.518 0.241 0 C-N-CA 120.67 -0.776 . . . . 0.0 112.633 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.45 26.47 15.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.812 0.339 . . . . 0.0 110.908 -179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.72 18.52 5.2 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.957 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.44 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -117.28 155.78 28.91 Favored 'General case' 0 N--CA 1.455 -0.222 0 CA-C-O 120.948 0.404 . . . . 0.0 110.584 179.75 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.622 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -101.02 86.57 3.07 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.922 -0.581 . . . . 0.0 111.115 -179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.701 ' HB3' ' HE2' ' A' ' 26' ' ' LYS . 0.2 OUTLIER -76.33 -172.24 2.04 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.767 -0.457 . . . . 0.0 109.767 179.107 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.639 ' HA ' ' CD2' ' A' ' 73' ' ' PHE . 4.8 t80 -74.5 -20.08 60.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.084 -179.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.853 ' HB2' HG23 ' B' ' 82' ' ' THR . 17.6 pt20 -83.34 -29.04 28.58 Favored 'General case' 0 C--N 1.321 -0.662 0 CA-C-N 116.396 -0.366 . . . . 0.0 111.471 -179.637 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.401 ' HB2' ' HB2' ' A' ' 62' ' ' ASN . 0.0 OUTLIER -86.08 -41.28 14.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.493 -179.242 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.639 ' CD2' ' HA ' ' A' ' 70' ' ' PHE . 0.1 OUTLIER -72.79 -45.75 56.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.697 0.284 . . . . 0.0 110.531 179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -62.96 -38.37 90.83 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.43 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 79' ' ' MET . . . -73.59 -24.32 60.04 Favored 'General case' 0 N--CA 1.45 -0.431 0 CA-C-N 116.051 -0.522 . . . . 0.0 109.774 178.468 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.948 ' CD1' HD11 ' A' ' 60' ' ' LEU . 79.2 t80 -68.02 -68.72 0.37 Allowed 'General case' 0 CA--C 1.517 -0.302 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.766 179.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.77 -31.04 2.45 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.21 0 CA-C-O 121.482 0.658 . . . . 0.0 110.101 179.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.9 -39.79 19.4 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 114.982 -1.008 . . . . 0.0 111.962 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.77 ' HG2' ' HA ' ' A' ' 76' ' ' PHE . 2.0 ptt? -75.7 -44.78 40.4 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.655 0.264 . . . . 0.0 110.802 -179.62 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.591 ' N ' ' HG3' ' A' ' 79' ' ' MET . 75.0 t -63.38 -38.13 81.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 121.119 0.485 . . . . 0.0 110.057 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.644 HG23 ' HB3' ' A' ' 85' ' ' HIS . 3.3 m -67.99 -51.42 47.37 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.478 179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.835 HG23 ' HB2' ' B' ' 71' ' ' GLN . 98.4 m -51.1 -27.13 7.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.915 -0.584 . . . . 0.0 112.077 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.987 ' HB2' ' HB2' ' C' ' 6' ' ' ASP . . . -78.35 -70.93 0.46 Allowed 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -179.296 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.471 ' O ' ' HB2' ' A' ' 88' ' ' PHE . 5.3 p -87.25 -54.1 4.49 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 112.497 0.555 . . . . 0.0 112.497 -178.631 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.644 ' HB3' HG23 ' A' ' 81' ' ' THR . 5.4 t60 -46.01 -25.32 0.54 Allowed 'General case' 0 C--N 1.333 -0.132 0 CA-C-O 121.083 0.468 . . . . 0.0 110.853 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -48.96 -64.3 0.85 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.616 179.694 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.58 -27.58 7.07 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.768 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.471 ' HB2' ' O ' ' A' ' 84' ' ' CYS . 12.0 m-85 -71.71 -17.69 62.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.79 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.479 ' CB ' ' HA ' ' A' ' 85' ' ' HIS . 2.2 tt0 -138.87 87.95 2.25 Favored 'General case' 0 N--CA 1.46 0.069 0 CA-C-O 120.854 0.359 . . . . 0.0 111.211 179.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -113.73 -37.01 4.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.815 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.249 1.036 0 CA-C-O 118.214 -0.898 . . . . 0.0 110.903 179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 92.4 p . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.826 0.346 . . . . 0.0 111.148 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . 0.668 ' HB2' ' HB1' ' A' ' 9' ' ' ALA . 0.1 OUTLIER -66.03 -36.4 83.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.267 0.556 . . . . 0.0 110.801 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.446 ' N ' ' HG2' ' B' ' 2' ' ' GLU . 0.1 OUTLIER -58.84 -22.71 59.44 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.781 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -82.66 -47.03 12.51 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.021 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.569 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -74.23 -37.73 63.75 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.072 -179.879 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.546 ' HB1' ' HB1' ' A' ' 6' ' ' ALA . . . -64.71 -45.69 85.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.722 0.296 . . . . 0.0 110.953 179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.45 ' O ' HG13 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -57.01 -54.96 40.78 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.998 0.427 . . . . 0.0 110.089 179.414 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 27.1 t -72.85 -20.85 19.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 115.892 -0.594 . . . . 0.0 111.344 179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.67 ' HB1' ' HB2' ' A' ' 2' ' ' GLU . . . -59.31 -43.3 92.65 Favored 'General case' 0 CA--C 1.516 -0.344 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 178.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.406 ' HB3' ' CE1' ' B' ' 73' ' ' PHE . 3.4 mt -65.59 -46.14 80.5 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.125 -0.943 . . . . 0.0 109.416 178.411 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.45 HG13 ' O ' ' B' ' 7' ' ' MET . 8.1 mt -59.06 -37.15 66.31 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.793 179.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -56.34 -39.97 73.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.59 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.639 HG12 ' HG ' ' B' ' 35' ' ' LEU . 9.4 t -62.35 -65.41 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.381 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' B' ' 70' ' ' PHE . 0.0 OUTLIER -60.94 -25.99 67.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.157 -179.845 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . 0.46 ' N ' ' CD1' ' B' ' 14' ' ' PHE . 42.0 t60 -77.02 -19.41 57.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.438 -0.346 . . . . 0.0 110.972 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -84.03 -45.57 12.95 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.887 0.375 . . . . 0.0 110.248 179.58 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.746 ' CG ' HD21 ' B' ' 35' ' ' LEU . 3.3 m-85 -83.19 -61.18 1.92 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.961 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.9 t -62.98 122.03 15.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.958 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 143.89 -35.62 1.58 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.614 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -65.97 -29.81 70.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.754 0.312 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -70.49 -69.63 0.35 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.825 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.43 -40.98 0.16 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.52 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -66.98 -43.64 82.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.829 0.347 . . . . 0.0 110.949 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.33 19.54 10.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.099 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.417 ' O ' ' CB ' ' B' ' 69' ' ' ASP . 5.0 t-160 -134.95 -32.66 0.96 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.547 -0.297 . . . . 0.0 111.437 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.711 ' HE2' ' HB3' ' B' ' 69' ' ' ASP . 0.0 OUTLIER -110.95 160.58 16.67 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.975 -0.38 . . . . 0.0 109.975 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.63 HD13 ' O ' ' B' ' 68' ' ' CYS . 5.6 mp -135.13 139.08 44.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.012 0.434 . . . . 0.0 110.961 -179.426 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -91.81 179.48 5.61 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.191 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' N ' ' HE1' ' B' ' 57' ' ' MET . 0.0 OUTLIER -55.66 -23.09 26.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.115 -179.927 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.17 -44.1 15.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.177 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.47 ' HB3' HD23 ' B' ' 27' ' ' LEU . 2.3 mm-40 -72.89 -68.23 0.5 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.76 0.314 . . . . 0.0 111.545 -179.386 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.74 HD13 ' N ' ' B' ' 33' ' ' LYS . 1.4 tm? -49.68 -64.85 0.68 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.606 -179.396 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.821 ' HG3' HG11 ' B' ' 53' ' ' VAL . 26.7 ttmt -46.84 -43.9 18.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.586 -179.511 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.496 ' HB3' ' CZ ' ' B' ' 17' ' ' TYR . 0.3 OUTLIER -47.16 -47.91 23.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.617 -179.635 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.746 HD21 ' CG ' ' B' ' 17' ' ' TYR . 3.4 mm? -62.8 -50.28 71.62 Favored 'General case' 0 CA--C 1.505 -0.788 0 CA-C-O 121.288 0.566 . . . . 0.0 110.708 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.85 ' HA ' HD12 ' B' ' 40' ' ' LEU . 1.1 mt -47.44 -46.01 10.11 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.03 0 CA-C-N 115.046 -0.979 . . . . 0.0 109.687 179.458 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -79.12 -28.02 42.91 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.747 -0.661 . . . . 0.0 110.038 178.125 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.454 ' HB3' ' HA ' ' B' ' 35' ' ' LEU . 31.8 t30 -71.95 -30.32 65.17 Favored 'General case' 0 C--O 1.231 0.119 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.63 179.749 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.455 ' N ' ' O ' ' B' ' 35' ' ' LEU . 5.3 mt-10 -109.1 -55.44 2.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.031 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.85 HD12 ' HA ' ' B' ' 36' ' ' ILE . 0.2 OUTLIER -89.36 50.98 2.02 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.68 179.84 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 80.2 p -67.76 -62.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.989 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -96.04 41.04 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 2.3 t80 -150.42 -61.84 0.2 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.053 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.708 HD22 ' HA ' ' B' ' 48' ' ' LYS . 2.6 mt 61.36 89.61 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.8 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . 0.569 ' HB2' HD22 ' B' ' 40' ' ' LEU . 2.8 mt-10 -111.47 -50.4 2.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.982 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -84.7 3.62 36.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.404 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 1.08 HD13 HG13 ' B' ' 53' ' ' VAL . 0.2 OUTLIER 175.59 149.23 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-O 120.851 0.358 . . . . 0.0 110.445 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.883 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.0 OUTLIER -121.3 -89.67 0.6 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.473 -179.05 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.706 ' O ' HG22 ' B' ' 52' ' ' VAL . 17.6 mm-40 -73.29 155.55 39.36 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.842 0.353 . . . . 0.0 110.943 -179.717 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 5.5 pt20 -61.86 -33.15 73.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -65.74 -44.52 85.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.481 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.925 ' O ' HG23 ' B' ' 56' ' ' VAL . 26.1 m -66.32 -35.37 74.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.537 -179.363 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 1.08 HG13 HD13 ' B' ' 47' ' ' ILE . 2.4 t -55.76 -56.08 14.3 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.235 0 CA-C-O 120.568 0.223 . . . . 0.0 110.952 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -51.27 -39.6 57.11 Favored 'General case' 0 C--N 1.331 -0.215 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 179.001 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.499 ' O ' ' N ' ' B' ' 59' ' ' THR . 10.2 ttmt -67.57 -42.08 83.14 Favored 'General case' 0 N--CA 1.448 -0.564 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.545 178.312 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.925 HG23 ' O ' ' B' ' 52' ' ' VAL . 36.9 t -56.94 -62.1 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.434 179.292 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.446 ' SD ' HD12 ' B' ' 32' ' ' LEU . 29.1 mtp -57.04 -24.13 51.59 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.512 179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -87.2 -27.4 23.02 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.334 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.644 HG22 ' HB2' ' D' ' 8' ' ' ASN . 37.3 m -75.96 -28.71 58.02 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.097 -179.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.932 HD11 ' CD1' ' B' ' 76' ' ' PHE . 0.5 OUTLIER -80.83 -50.99 9.11 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.764 179.79 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 7.2 t70 37.57 75.88 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.909 179.539 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . 0.403 ' HB2' ' HB2' ' B' ' 72' ' ' GLU . 1.7 m120 -76.01 -61.22 2.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.91 0.386 . . . . 0.0 110.756 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -174.83 35.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.871 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -118.0 7.78 14.74 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.692 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.45 26.49 15.78 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.765 0.317 . . . . 0.0 110.886 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 117.71 18.43 5.23 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.963 179.819 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.457 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -117.33 155.68 29.14 Favored 'General case' 0 N--CA 1.454 -0.24 0 CA-C-O 121.008 0.432 . . . . 0.0 110.593 179.76 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.63 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -100.86 86.5 3.09 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.217 -179.828 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.711 ' HB3' ' HE2' ' B' ' 26' ' ' LYS . 0.2 OUTLIER -76.22 -172.37 2.05 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.813 -0.44 . . . . 0.0 109.813 179.097 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.644 ' HA ' ' CD2' ' B' ' 73' ' ' PHE . 4.9 t80 -74.33 -20.17 60.2 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 120.784 0.325 . . . . 0.0 111.184 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.835 ' HB2' HG23 ' A' ' 82' ' ' THR . 17.6 pt20 -83.33 -28.93 28.68 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.475 -179.687 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.403 ' HB2' ' HB2' ' B' ' 62' ' ' ASN . 0.0 OUTLIER -86.07 -41.46 14.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.415 -179.228 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.644 ' CD2' ' HA ' ' B' ' 70' ' ' PHE . 0.1 OUTLIER -72.73 -45.86 56.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.723 0.296 . . . . 0.0 110.459 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . . . . . . . . . 2.6 ppp? -62.85 -38.44 90.82 Favored 'General case' 0 N--CA 1.454 -0.257 0 N-CA-C 109.82 -0.437 . . . . 0.0 109.82 179.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 79' ' ' MET . . . -73.56 -24.25 60.07 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.042 -0.526 . . . . 0.0 109.786 178.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.932 ' CD1' HD11 ' B' ' 60' ' ' LEU . 79.2 t80 -68.05 -68.64 0.37 Allowed 'General case' 0 CA--C 1.517 -0.315 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.81 179.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . . . . . . . . . 2.4 p -47.8 -31.04 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.456 -0.151 0 CA-C-O 121.431 0.634 . . . . 0.0 110.093 179.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . . . . . . . . . . . -83.86 -39.82 19.42 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 114.983 -1.008 . . . . 0.0 111.901 -179.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.779 ' HG2' ' HA ' ' B' ' 76' ' ' PHE . 2.0 ptt? -75.72 -44.78 40.27 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.645 0.259 . . . . 0.0 110.805 -179.602 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.588 ' N ' ' HG3' ' B' ' 79' ' ' MET . 74.8 t -63.39 -38.07 81.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 121.201 0.524 . . . . 0.0 110.08 179.073 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.633 HG23 ' HB3' ' B' ' 85' ' ' HIS . 3.3 m -67.94 -51.52 46.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.517 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.853 HG23 ' HB2' ' A' ' 71' ' ' GLN . 98.3 m -51.05 -27.12 7.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.881 -0.6 . . . . 0.0 112.054 -179.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.98 ' HB2' ' HB2' ' D' ' 6' ' ' ASP . . . -78.35 -70.92 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -179.33 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.48 ' O ' ' HB2' ' B' ' 88' ' ' PHE . 5.2 p -87.36 -54.02 4.52 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.48 0.548 . . . . 0.0 112.48 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.633 ' HB3' HG23 ' B' ' 81' ' ' THR . 5.4 t60 -46.03 -25.32 0.54 Allowed 'General case' 0 C--N 1.332 -0.173 0 CA-C-O 121.071 0.463 . . . . 0.0 110.836 -179.854 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -49.07 -64.17 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.712 -0.676 . . . . 0.0 111.634 179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -115.6 -27.49 7.1 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.835 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.48 ' HB2' ' O ' ' B' ' 84' ' ' CYS . 12.0 m-85 -71.89 -17.55 62.1 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.746 179.508 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.485 ' CB ' ' HA ' ' B' ' 85' ' ' HIS . 2.2 tt0 -138.96 87.85 2.24 Favored 'General case' 0 C--O 1.231 0.129 0 CA-C-O 120.894 0.378 . . . . 0.0 111.18 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 15.2 t-80 -113.69 -36.96 4.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.79 179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 . . . . . 0 C--O 1.248 1.002 0 CA-C-O 118.324 -0.846 . . . . 0.0 110.952 179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . 0.661 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.79 0.328 . . . . 0.0 111.251 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.68 -68.33 0.18 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 0.0 110.818 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 20.0 p -98.34 -1.9 40.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.34 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.862 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -79.24 -3.22 44.81 Favored 'General case' 0 CA--C 1.53 0.179 0 CA-C-N 116.632 -0.258 . . . . 0.0 111.114 179.688 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.862 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 44.68 13.84 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.465 0 N-CA-C 113.04 0.756 . . . . 0.0 113.04 -179.725 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.987 ' HB2' ' HB2' ' A' ' 83' ' ' ALA . 22.4 t0 38.65 28.93 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 112.28 0.474 . . . . 0.0 112.28 -179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.978 ' CD2' HD13 ' C' ' 11' ' ' LEU . 10.1 m95 -89.15 -30.02 18.9 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.857 -0.424 . . . . 0.0 109.857 179.175 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.637 ' HB2' HG22 ' A' ' 59' ' ' THR . 3.4 m-20 80.7 -162.99 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.414 0 CA-C-N 115.358 -0.837 . . . . 0.0 111.479 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.45 -41.63 0.09 Allowed 'General case' 0 N--CA 1.468 0.451 0 N-CA-C 114.525 1.306 . . . . 0.0 114.525 -177.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.986 HD12 HD12 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.62 -60.28 1.64 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.318 0 CA-C-N 118.129 0.422 . . . . 0.0 111.674 -178.406 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.986 HD12 HD12 ' C' ' 10' ' ' ILE . 1.3 mp -89.21 -14.51 35.82 Favored 'General case' 0 C--N 1.333 -0.138 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 178.506 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 C--O 1.25 1.08 0 CA-C-O 118.245 -0.883 . . . . 0.0 111.127 179.934 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . 0.647 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.391 0 CA-C-O 120.742 0.306 . . . . 0.0 111.198 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -51.69 -68.34 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.769 179.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 19.8 p -98.36 -1.92 40.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.31 179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.871 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -79.17 -3.26 44.77 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 116.629 -0.26 . . . . 0.0 111.1 179.656 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.871 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 44.77 13.76 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.47 0 N-CA-C 112.981 0.734 . . . . 0.0 112.981 -179.789 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.98 ' HB2' ' HB2' ' B' ' 83' ' ' ALA . 22.4 t0 38.8 28.85 0.02 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.976 ' CD2' HD13 ' D' ' 11' ' ' LEU . 10.0 m95 -89.17 -30.04 18.87 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.828 -0.434 . . . . 0.0 109.828 179.27 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.644 ' HB2' HG22 ' B' ' 59' ' ' THR . 3.4 m-20 80.61 -163.05 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.365 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.506 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -33.37 -41.67 0.08 Allowed 'General case' 0 N--CA 1.47 0.568 0 N-CA-C 114.46 1.281 . . . . 0.0 114.46 -177.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.989 HD12 HD12 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.53 -60.4 1.53 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.334 0 O-C-N 122.034 -0.416 . . . . 0.0 111.687 -178.452 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.989 HD12 HD12 ' D' ' 10' ' ' ILE . 1.3 mp -89.14 -14.59 35.82 Favored 'General case' 0 C--N 1.332 -0.179 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 178.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.423 ' N ' ' O ' ' D' ' 8' ' ' ASN . 94.0 p . . . . . 0 C--O 1.249 1.064 0 CA-C-O 118.25 -0.881 . . . . 0.0 111.135 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.9 m . . . . . 0 N--CA 1.486 1.372 0 CA-C-O 120.922 0.392 . . . . 0.0 111.132 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -59.96 -23.28 63.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.114 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.4 -25.86 61.65 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.094 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.8 -44.99 13.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.137 -179.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.572 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 0.0 OUTLIER -72.64 -55.72 6.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.603 -179.533 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.418 ' CA ' ' HB1' ' B' ' 6' ' ' ALA . . . -57.1 -50.49 72.61 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.748 0.309 . . . . 0.0 111.539 -179.644 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.596 ' CE ' HG13 ' B' ' 77' ' ' VAL . 22.3 ttm -48.34 -66.62 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.823 0.344 . . . . 0.0 110.77 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.19 -19.74 24.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.655 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.572 ' HB2' ' O ' ' A' ' 5' ' ' LYS . . . -60.39 -42.07 95.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.181 0.515 . . . . 0.0 109.942 179.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.766 HD21 ' HE1' ' A' ' 74' ' ' MET . 0.8 OUTLIER -72.0 -37.19 69.86 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-N 115.82 -0.627 . . . . 0.0 109.662 179.031 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.506 HG23 ' CD1' ' A' ' 70' ' ' PHE . 3.7 mt -66.65 -41.52 88.33 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.702 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 178.404 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.86 -40.12 28.36 Favored 'General case' 0 CA--C 1.52 -0.201 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 178.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.72 HG12 HD11 ' A' ' 35' ' ' LEU . 41.8 t -57.85 -48.5 83.67 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.258 0 CA-C-N 115.457 -0.792 . . . . 0.0 110.033 178.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.547 ' HB3' ' CE2' ' A' ' 73' ' ' PHE . 0.0 OUTLIER -70.58 -27.44 64.12 Favored 'General case' 0 CA--C 1.53 0.176 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.434 179.226 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 3.4 m-70 -77.48 -22.15 51.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.201 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.42 -38.44 24.04 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.862 0.363 . . . . 0.0 110.46 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.422 ' CG ' ' HG ' ' A' ' 35' ' ' LEU . 2.2 m-85 -82.8 -57.64 3.23 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.881 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 1.1 t -63.28 125.13 23.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.122 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.4 36.32 1.11 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.52 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -101.4 -29.63 11.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.955 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -100.66 -37.24 8.83 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.3 -38.56 1.09 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.604 -0.807 . . . . 0.0 112.652 179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.34 -57.97 10.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.834 0.35 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.16 173.11 0.11 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.079 179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.542 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 19.8 t-160 60.96 41.05 14.68 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.966 -179.715 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.626 ' O ' HD13 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -174.84 148.44 1.08 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.176 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.633 ' HB2' ' O ' ' A' ' 68' ' ' CYS . 2.4 mm? -129.11 138.47 51.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.856 0.36 . . . . 0.0 110.189 178.766 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.518 ' HA ' ' HE1' ' A' ' 57' ' ' MET . 0.5 OUTLIER -111.96 -177.72 3.25 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.297 0.57 . . . . 0.0 111.831 -178.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' A' ' 33' ' ' LYS . 0.0 OUTLIER -58.51 -19.81 40.55 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.39 -0.823 . . . . 0.0 110.969 179.671 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 48.4 t -83.19 -56.63 3.67 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.815 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.421 ' O ' ' HB2' ' A' ' 35' ' ' LEU . 0.5 OUTLIER -74.75 -59.99 2.48 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.25 -179.807 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.484 ' C ' HD13 ' A' ' 32' ' ' LEU . 2.6 tm? -42.46 -62.45 0.97 Allowed 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.803 -179.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.549 ' CE ' HG12 ' A' ' 53' ' ' VAL . 0.1 OUTLIER -52.87 -63.5 1.12 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.863 0.363 . . . . 0.0 111.179 -179.861 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.407 ' O ' ' HB2' ' A' ' 38' ' ' ASN . 4.2 mt-10 -51.88 -26.23 9.7 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.345 -179.695 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.72 HD11 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -67.83 -57.2 6.69 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.136 0.493 . . . . 0.0 111.092 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.559 HG23 HD13 ' A' ' 40' ' ' LEU . 1.6 mt -45.68 -63.2 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.912 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.45 ' HB2' ' CD2' ' A' ' 42' ' ' HIS . 1.6 p30 -56.52 -21.97 29.74 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.733 0.301 . . . . 0.0 110.875 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.407 ' HB2' ' O ' ' A' ' 34' ' ' GLU . 42.7 t30 -84.46 -41.3 16.74 Favored 'General case' 0 CA--C 1.53 0.204 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . 0.412 ' HG3' ' CG1' ' A' ' 13' ' ' VAL . 60.4 mm-40 -90.74 -35.45 14.87 Favored 'General case' 0 C--N 1.33 -0.24 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.559 HD13 HG23 ' A' ' 36' ' ' ILE . 7.9 mp -83.92 33.96 0.49 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.6 -0.273 . . . . 0.0 111.67 -179.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.8 p 45.88 29.09 0.67 Allowed 'General case' 0 N--CA 1.462 0.127 0 CA-C-O 120.699 0.285 . . . . 0.0 111.571 179.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' A' ' 37' ' ' ASN . 0.6 OUTLIER 56.92 22.49 7.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.961 -179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.13 -23.54 47.77 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.5 mt 65.98 58.02 0.77 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.959 0.409 . . . . 0.0 110.584 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -79.58 -40.75 28.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.067 -179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -106.82 21.92 16.75 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.163 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.904 ' CG2' HG22 ' A' ' 53' ' ' VAL . 12.6 pt -153.27 83.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.035 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.595 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.2 OUTLIER -63.5 -13.15 38.02 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.379 179.926 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.755 ' O ' HG23 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -165.32 173.9 10.71 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.511 179.674 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.71 -39.22 62.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.97 0.414 . . . . 0.0 110.997 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.87 -44.12 96.97 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.139 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.908 ' O ' HG23 ' A' ' 56' ' ' VAL . 25.4 m -61.53 -41.35 89.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.519 -179.49 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.904 HG22 ' CG2' ' A' ' 47' ' ' ILE . 3.3 t -51.96 -56.52 5.87 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.678 0.275 . . . . 0.0 111.057 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -48.99 -41.34 34.04 Favored 'General case' 0 C--N 1.333 -0.124 0 CA-C-O 121.027 0.441 . . . . 0.0 110.088 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' THR . 8.1 ttmt -70.23 -40.97 74.19 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.569 178.647 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.908 HG23 ' O ' ' A' ' 52' ' ' VAL . 47.6 t -57.76 -57.74 9.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.198 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.488 179.421 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.518 ' HE1' ' HA ' ' A' ' 28' ' ' LYS . 2.2 ppp? -59.02 -22.31 60.47 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.006 0.431 . . . . 0.0 109.961 179.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.75 -29.43 23.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.91 179.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.611 HG21 HG22 ' C' ' 10' ' ' ILE . 2.5 m -70.88 -30.09 66.37 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.974 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.784 HD12 ' SG ' ' A' ' 68' ' ' CYS . 16.5 mt -80.25 -19.97 45.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.211 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -49.47 99.57 0.02 OUTLIER 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.891 0.377 . . . . 0.0 111.11 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -83.59 -59.12 2.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.958 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 178.03 39.4 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' HA3' ' NZ ' ' A' ' 26' ' ' LYS . . . -95.67 -57.46 1.18 Allowed Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.615 -0.802 . . . . 0.0 112.622 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.9 t0 -178.59 39.19 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 111.261 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.32 17.14 51.98 Favored Glycine 0 N--CA 1.453 -0.228 0 C-N-CA 120.739 -0.743 . . . . 0.0 113.03 179.801 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.491 ' HG3' ' HA ' ' A' ' 28' ' ' LYS . 0.6 OUTLIER -123.7 -177.48 3.75 Favored 'General case' 0 N--CA 1.453 -0.306 0 CA-C-O 120.723 0.296 . . . . 0.0 110.395 179.763 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.784 ' SG ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -107.86 86.33 2.28 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.81 -179.874 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.57 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 4.6 p-10 -84.17 -162.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.714 179.791 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.506 ' CD1' HG23 ' A' ' 11' ' ' ILE . 3.6 t80 -71.84 -32.8 67.9 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.103 0.478 . . . . 0.0 110.669 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.94 -32.45 72.87 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.321 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.44 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 1.4 mm-40 -78.12 -22.6 48.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.814 -0.63 . . . . 0.0 110.741 179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.547 ' CE2' ' HB3' ' A' ' 14' ' ' PHE . 1.1 m-30 -61.99 -46.85 87.42 Favored 'General case' 0 CA--C 1.519 -0.231 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 179.106 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.766 ' HE1' HD21 ' A' ' 10' ' ' LEU . 19.1 mmt -63.38 -58.18 7.93 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.382 179.35 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.63 -25.05 24.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.59 ' O ' HG23 ' A' ' 80' ' ' VAL . 41.5 t80 -74.37 -73.29 0.24 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.718 179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.594 HG13 ' CE ' ' B' ' 7' ' ' MET . 13.3 t -58.72 -19.48 14.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.225 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.414 ' CB ' ' O ' ' A' ' 74' ' ' MET . . . -81.66 -53.19 6.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.883 -179.643 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . . . . . . . . . 23.1 mtm -70.53 -45.59 65.24 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.229 0.538 . . . . 0.0 110.654 -179.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.849 HG13 ' NE1' ' C' ' 7' ' ' TRP . 60.3 t -59.19 -55.21 25.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 CA-C-N 115.214 -0.903 . . . . 0.0 112.142 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' A' ' 82' ' ' THR . 0.5 OUTLIER -71.57 -53.21 14.51 Favored 'General case' 0 CA--C 1.535 0.369 0 N-CA-C 112.295 0.48 . . . . 0.0 112.295 -178.698 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.469 ' N ' ' CG2' ' A' ' 81' ' ' THR . 84.7 m -50.8 -23.44 2.75 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . 0.43 ' HB1' ' O ' ' C' ' 1' ' ' THR . . . -82.03 -71.56 0.48 Allowed 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.881 0.372 . . . . 0.0 111.679 -179.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.476 ' HB2' HG22 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -87.71 -53.01 5.0 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 112.015 -178.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.477 ' HA ' ' CA ' ' A' ' 89' ' ' GLU . 7.9 t60 -49.04 -22.07 0.82 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.943 0.401 . . . . 0.0 110.873 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -49.24 -64.88 0.67 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.01 -0.541 . . . . 0.0 111.462 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.6 -7.43 7.43 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.802 179.608 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.7 m-85 -100.03 -17.36 17.54 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.483 179.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.477 ' CA ' ' HA ' ' A' ' 85' ' ' HIS . 0.0 OUTLIER 67.19 -71.69 0.1 Allowed 'General case' 0 N--CA 1.462 0.134 0 CA-C-O 120.87 0.367 . . . . 0.0 110.902 179.79 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -112.85 -65.15 1.21 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.932 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.215 -0.897 . . . . 0.0 110.959 -179.997 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . . . . . . . . . 12.2 m . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.884 0.373 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -59.97 -23.2 63.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.187 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 mp -72.4 -25.83 61.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.157 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -83.89 -45.02 13.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.098 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.585 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 0.0 OUTLIER -72.65 -55.77 6.33 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.56 -179.538 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.418 ' HB1' ' CA ' ' A' ' 6' ' ' ALA . . . -56.99 -50.57 72.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.725 0.298 . . . . 0.0 111.501 -179.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.594 ' CE ' HG13 ' A' ' 77' ' ' VAL . 22.3 ttm -48.34 -66.73 0.35 Allowed 'General case' 0 C--N 1.327 -0.386 0 CA-C-O 120.898 0.38 . . . . 0.0 110.735 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 24.8 t -68.01 -19.87 25.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.677 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.585 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -60.32 -42.03 94.75 Favored 'General case' 0 C--O 1.235 0.29 0 CA-C-O 121.118 0.485 . . . . 0.0 109.902 179.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.8 HD21 ' HE1' ' B' ' 74' ' ' MET . 0.8 OUTLIER -72.0 -37.18 69.86 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.633 179.129 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.512 HG23 ' CD1' ' B' ' 70' ' ' PHE . 3.7 mt -66.69 -41.52 88.22 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.718 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 178.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -48.92 -40.09 28.68 Favored 'General case' 0 CA--C 1.521 -0.173 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 178.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.736 HG12 HD11 ' B' ' 35' ' ' LEU . 41.4 t -57.82 -48.54 83.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.023 178.439 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.548 ' HB3' ' CE2' ' B' ' 73' ' ' PHE . 0.0 OUTLIER -70.66 -27.46 64.06 Favored 'General case' 0 N--CA 1.463 0.189 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.416 179.292 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -77.5 -22.01 51.89 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.208 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 11.0 mt-30 -82.35 -38.44 24.22 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.948 0.404 . . . . 0.0 110.517 179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.419 ' CG ' ' HG ' ' B' ' 35' ' ' LEU . 2.2 m-85 -82.9 -57.62 3.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.881 -0.6 . . . . 0.0 110.873 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . . . . . . . . . 1.2 t -63.28 125.11 23.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.099 -179.803 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 116.36 36.4 1.1 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.467 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 9.3 mtt-85 -101.39 -29.66 11.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.749 0.309 . . . . 0.0 110.953 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -100.59 -37.23 8.87 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.885 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.24 -38.53 1.09 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.695 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -57.46 -57.91 10.62 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.759 0.314 . . . . 0.0 110.857 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 61.09 173.14 0.11 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.094 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.536 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 19.9 t-160 60.99 41.04 14.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.981 -179.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.631 ' O ' HD13 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -174.91 148.49 1.05 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.135 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.631 HD13 ' O ' ' B' ' 26' ' ' LYS . 2.4 mm? -129.12 138.49 51.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.369 . . . . 0.0 110.171 178.771 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.512 ' HA ' ' HE1' ' B' ' 57' ' ' MET . 0.5 OUTLIER -111.92 -177.81 3.27 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.263 0.554 . . . . 0.0 111.836 -178.873 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.446 ' O ' ' HB2' ' B' ' 33' ' ' LYS . 0.0 OUTLIER -58.54 -19.73 40.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.372 -0.831 . . . . 0.0 110.962 179.632 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . . . . . . . . . 48.0 t -83.13 -56.66 3.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.831 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' B' ' 35' ' ' LEU . 0.5 OUTLIER -74.78 -59.92 2.52 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.294 -179.771 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.473 HD13 ' C ' ' B' ' 32' ' ' LEU . 2.6 tm? -42.66 -62.36 1.01 Allowed 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.765 -179.493 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.548 ' CE ' HG12 ' B' ' 53' ' ' VAL . 0.1 OUTLIER -52.89 -63.49 1.13 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.774 0.321 . . . . 0.0 111.218 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -51.74 -26.36 9.31 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.435 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.736 HD11 HG12 ' B' ' 13' ' ' VAL . 0.4 OUTLIER -67.78 -57.19 6.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.108 0.48 . . . . 0.0 111.106 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.54 HG23 HD13 ' B' ' 40' ' ' LEU . 1.6 mt -45.71 -63.18 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.729 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.886 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . 0.45 ' HB2' ' CD2' ' B' ' 42' ' ' HIS . 1.6 p30 -56.48 -21.97 29.33 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.779 0.323 . . . . 0.0 110.939 179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . . . . . . . . . 42.7 t30 -84.46 -41.42 16.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.961 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.415 ' HG3' ' CG1' ' B' ' 13' ' ' VAL . 60.4 mm-40 -90.69 -35.44 14.92 Favored 'General case' 0 C--N 1.332 -0.193 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -178.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.54 HD13 HG23 ' B' ' 36' ' ' ILE . 7.9 mp -83.87 33.98 0.49 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.591 -179.444 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 4.9 p 45.87 29.09 0.67 Allowed 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.721 0.296 . . . . 0.0 111.561 179.568 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.45 ' CD2' ' HB2' ' B' ' 37' ' ' ASN . 0.6 OUTLIER 56.92 22.52 7.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.985 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -78.3 -23.39 47.16 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.986 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.402 ' HB3' ' O ' ' B' ' 47' ' ' ILE . 1.5 mt 66.02 57.87 0.77 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.938 0.399 . . . . 0.0 110.631 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -79.56 -40.7 28.87 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.119 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -106.81 22.01 16.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.206 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.891 ' CG2' HG22 ' B' ' 53' ' ' VAL . 12.7 pt -153.23 83.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.006 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.6 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.2 OUTLIER -63.46 -13.13 37.27 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.442 -0.345 . . . . 0.0 111.309 179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.747 ' O ' HG23 ' B' ' 53' ' ' VAL . 0.3 OUTLIER -165.41 173.83 10.68 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.508 -0.314 . . . . 0.0 110.47 179.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -74.78 -39.17 61.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.886 0.374 . . . . 0.0 110.938 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 pt-20 -62.73 -44.26 96.67 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.154 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.892 ' O ' HG23 ' B' ' 56' ' ' VAL . 25.4 m -61.48 -41.29 89.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.547 -179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.891 HG22 ' CG2' ' B' ' 47' ' ' ILE . 3.3 t -52.0 -56.49 6.06 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.689 0.281 . . . . 0.0 111.088 -179.719 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -49.01 -41.3 34.1 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.048 0.451 . . . . 0.0 110.077 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.406 ' O ' ' N ' ' B' ' 59' ' ' THR . 8.1 ttmt -70.27 -40.98 74.03 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.571 178.65 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.892 HG23 ' O ' ' B' ' 52' ' ' VAL . 47.2 t -57.66 -57.77 8.98 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.526 179.358 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.512 ' HE1' ' HA ' ' B' ' 28' ' ' LYS . 2.2 ppp? -58.99 -22.4 60.46 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.979 0.419 . . . . 0.0 109.963 179.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -85.64 -29.39 24.07 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.946 179.725 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.617 HG21 HG22 ' D' ' 10' ' ' ILE . 2.6 m -70.98 -30.15 66.34 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.781 HD12 ' SG ' ' B' ' 68' ' ' CYS . 16.5 mt -80.22 -19.82 46.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.198 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -49.59 99.54 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.896 0.379 . . . . 0.0 111.155 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -83.59 -59.09 2.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.927 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 177.98 39.4 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . . . . . . . . . . . -95.63 -57.53 1.18 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.607 -0.806 . . . . 0.0 112.62 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -178.61 39.26 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.771 0.319 . . . . 0.0 111.252 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 61.29 17.16 51.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.98 179.664 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.484 ' HG3' ' HA ' ' B' ' 28' ' ' LYS . 0.6 OUTLIER -123.77 -177.51 3.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.653 0.263 . . . . 0.0 110.351 179.792 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.781 ' SG ' HD12 ' B' ' 60' ' ' LEU . 0.0 OUTLIER -107.86 86.44 2.3 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.46 -0.337 . . . . 0.0 110.839 -179.898 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.576 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 4.6 p-10 -84.32 -162.08 0.62 Allowed 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 120.851 -0.34 . . . . 0.0 110.656 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' B' ' 11' ' ' ILE . 3.6 t80 -71.8 -32.92 68.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.111 0.482 . . . . 0.0 110.673 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -61.85 -32.4 72.73 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.328 179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.458 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 1.4 mm-40 -78.29 -22.45 48.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.743 179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.548 ' CE2' ' HB3' ' B' ' 14' ' ' PHE . 1.1 m-30 -62.07 -46.83 87.4 Favored 'General case' 0 CA--C 1.519 -0.224 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 179.043 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.8 ' HE1' HD21 ' B' ' 10' ' ' LEU . 19.1 mmt -63.34 -58.34 7.43 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.546 -0.752 . . . . 0.0 110.308 179.353 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . . . . . . . . . . . -54.58 -25.03 23.68 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.007 179.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.599 ' O ' HG23 ' B' ' 80' ' ' VAL . 41.5 t80 -74.36 -73.32 0.24 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.771 179.718 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.596 HG13 ' CE ' ' A' ' 7' ' ' MET . 13.3 t -58.65 -19.47 14.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.245 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' B' ' 74' ' ' MET . . . -81.75 -53.14 6.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.462 -0.335 . . . . 0.0 111.844 -179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . . . . . . . . . 23.2 mtm -70.53 -45.55 65.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.323 0.583 . . . . 0.0 110.746 -179.711 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.846 HG13 ' NE1' ' D' ' 7' ' ' TRP . 59.8 t -59.14 -55.26 24.72 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.173 -0.921 . . . . 0.0 112.149 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.472 ' CG2' ' N ' ' B' ' 82' ' ' THR . 0.5 OUTLIER -71.61 -53.18 14.53 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.642 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.472 ' N ' ' CG2' ' B' ' 81' ' ' THR . 85.1 m -50.8 -23.43 2.75 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -179.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . 0.436 ' HB1' ' O ' ' D' ' 1' ' ' THR . . . -82.0 -71.68 0.47 Allowed 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.931 0.396 . . . . 0.0 111.627 -179.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . 0.46 ' HB2' HG22 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -87.68 -52.92 5.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 112.059 -178.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.48 ' HA ' ' CA ' ' B' ' 89' ' ' GLU . 7.9 t60 -49.09 -22.0 0.84 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.944 0.402 . . . . 0.0 110.874 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -49.31 -64.85 0.68 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.928 -0.578 . . . . 0.0 111.503 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -124.61 -7.36 7.43 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.751 179.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -100.06 -17.26 17.56 Favored 'General case' 0 N--CA 1.453 -0.311 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.569 179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.48 ' CA ' ' HA ' ' B' ' 85' ' ' HIS . 0.0 OUTLIER 67.05 -71.58 0.1 Allowed 'General case' 0 CA--C 1.527 0.085 0 CA-C-O 120.826 0.346 . . . . 0.0 110.975 179.825 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -112.94 -65.1 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.944 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--O 1.249 1.062 0 CA-C-O 118.226 -0.892 . . . . 0.0 110.867 -179.961 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . 0.43 ' O ' ' HB1' ' A' ' 83' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.384 0 CA-C-O 120.785 0.326 . . . . 0.0 111.211 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.16 -71.64 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.962 -179.741 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.96 -4.79 31.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.648 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 0.804 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.1 OUTLIER -80.68 -1.92 44.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.708 -0.224 . . . . 0.0 110.827 179.5 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 0.804 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.1 OUTLIER 52.03 -7.03 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 C-N-CA 123.901 0.88 . . . . 0.0 113.314 -179.373 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.586 ' H ' ' C ' ' C' ' 4' ' ' LYS . 22.9 t70 55.18 15.36 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 112.979 0.733 . . . . 0.0 112.979 178.672 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.849 ' NE1' HG13 ' A' ' 80' ' ' VAL . 10.3 m0 -64.35 -32.54 74.19 Favored 'General case' 0 N--CA 1.463 0.221 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 178.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.719 ' O ' ' HA ' ' C' ' 12' ' ' SER . 50.0 m-20 102.21 -94.68 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.933 0.893 . . . . 0.0 113.29 178.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.471 ' H ' ' CG2' ' A' ' 59' ' ' THR . 0.0 OUTLIER -96.26 -43.39 7.73 Favored 'General case' 0 N--CA 1.468 0.447 0 N-CA-C 113.267 0.839 . . . . 0.0 113.267 -177.674 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.635 HG12 HG22 ' A' ' 56' ' ' VAL . 2.5 tp -52.05 -59.41 1.49 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-O 120.581 0.229 . . . . 0.0 110.803 -178.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.605 ' H ' HG23 ' C' ' 10' ' ' ILE . 26.7 mt -92.23 -11.53 35.11 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.401 -0.592 . . . . 0.0 109.401 178.047 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.719 ' HA ' ' O ' ' C' ' 8' ' ' ASN . 23.3 t . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.053 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . 0.436 ' O ' ' HB1' ' B' ' 83' ' ' ALA . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.408 0 CA-C-O 120.696 0.284 . . . . 0.0 111.22 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.08 -71.76 0.12 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.328 -0.397 . . . . 0.0 110.987 -179.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . . . . . . . . . 5.2 t -98.95 -4.72 32.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.609 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 0.796 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.1 OUTLIER -80.82 -1.85 44.8 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.766 -0.197 . . . . 0.0 110.765 179.521 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 0.796 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.1 OUTLIER 52.05 -7.06 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 C-N-CA 123.924 0.89 . . . . 0.0 113.246 -179.453 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.58 ' H ' ' C ' ' D' ' 4' ' ' LYS . 22.9 t70 55.26 15.38 1.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 178.671 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.846 ' NE1' HG13 ' B' ' 80' ' ' VAL . 10.3 m0 -64.5 -32.45 74.09 Favored 'General case' 0 N--CA 1.464 0.244 0 N-CA-C 109.268 -0.642 . . . . 0.0 109.268 178.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.721 ' O ' ' HA ' ' D' ' 12' ' ' SER . 50.0 m-20 102.1 -94.68 0.0 OUTLIER 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.913 0.885 . . . . 0.0 113.295 178.027 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . 0.463 ' H ' ' CG2' ' B' ' 59' ' ' THR . 0.0 OUTLIER -96.2 -43.43 7.73 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.34 0.867 . . . . 0.0 113.34 -177.721 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.639 HD11 ' HB ' ' B' ' 52' ' ' VAL . 2.5 tp -52.04 -59.36 1.51 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.359 0 CA-C-O 120.501 0.191 . . . . 0.0 110.776 -178.745 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.62 ' H ' HG23 ' D' ' 10' ' ' ILE . 26.5 mt -92.31 -11.53 34.88 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 178.148 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.721 ' HA ' ' O ' ' D' ' 8' ' ' ASN . 23.3 t . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.21 -0.9 . . . . 0.0 110.967 179.616 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . 0.402 ' HG ' ' CE1' ' B' ' 42' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.409 0 CA-C-O 120.807 0.337 . . . . 0.0 111.191 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -59.16 -24.68 63.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.985 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.651 ' HB2' HD21 ' B' ' 40' ' ' LEU . 0.2 OUTLIER -63.33 -52.41 61.97 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.891 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -40.38 65.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.544 ' O ' ' HB2' ' A' ' 9' ' ' ALA . 1.8 mtpp -61.24 -57.39 12.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.932 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.535 ' HB2' ' HB3' ' B' ' 9' ' ' ALA . . . -56.66 -50.23 72.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.16 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' MET . . . . . 0.544 ' O ' HG13 ' A' ' 11' ' ' ILE . 2.7 ttm -47.92 -66.47 0.4 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.786 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 t -69.66 -17.13 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.853 -179.746 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.561 ' HB3' ' HB2' ' B' ' 6' ' ' ALA . . . -61.21 -43.52 98.75 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.251 0.548 . . . . 0.0 109.78 179.189 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 6' ' ' ALA . 0.8 OUTLIER -71.44 -38.51 71.33 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-N 115.799 -0.637 . . . . 0.0 109.477 178.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 7' ' ' MET . 2.7 mt -66.49 -33.1 61.27 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.74 0 N-CA-C 109.384 -0.598 . . . . 0.0 109.384 178.124 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -51.74 -47.87 63.87 Favored 'General case' 0 CA--C 1.521 -0.14 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.518 178.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.808 HG12 ' HG ' ' A' ' 35' ' ' LEU . 15.9 t -55.11 -43.9 72.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.018 178.67 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.531 ' CD1' ' C ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -72.07 -28.1 63.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.891 178.905 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' HIS . . . . . . . . . . . . . 8.0 t60 -66.62 -20.75 66.07 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.02 -51.86 6.77 Favored 'General case' 0 N--CA 1.45 -0.44 0 CA-C-O 120.997 0.427 . . . . 0.0 109.913 179.494 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.776 ' CD2' HD11 ' A' ' 35' ' ' LEU . 20.0 m-85 -84.63 -65.19 1.04 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.169 179.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . 0.508 ' CB ' ' CD2' ' A' ' 14' ' ' PHE . 1.9 t -51.94 133.53 32.37 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.525 -179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.649 ' HA2' ' HB3' ' A' ' 24' ' ' LYS . . . 58.71 79.71 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.942 -0.647 . . . . 0.0 112.238 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.49 -62.35 1.7 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.733 0.302 . . . . 0.0 111.538 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.48 25.57 11.17 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.111 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.78 -32.39 5.86 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.435 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.79 -31.59 69.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.705 0.288 . . . . 0.0 110.928 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.649 ' HB3' ' HA2' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -97.35 160.62 14.22 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.919 0.39 . . . . 0.0 111.043 179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' HIS . . . . . 0.61 ' O ' ' HG2' ' A' ' 26' ' ' LYS . 3.5 t-160 -165.39 52.39 0.11 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.82 -179.283 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.867 ' O ' HD13 ' A' ' 27' ' ' LEU . 1.5 mtpp -164.02 168.38 19.29 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.365 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.867 HD13 ' O ' ' A' ' 26' ' ' LYS . 0.5 OUTLIER -133.16 137.91 46.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.179 178.87 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.417 ' HA ' ' HG3' ' A' ' 67' ' ' GLU . 16.2 mttt -93.7 179.54 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 -179.725 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.438 ' HA ' ' HE3' ' A' ' 57' ' ' MET . 20.7 mmtp -52.69 -34.89 54.22 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.484 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . 0.621 ' O ' ' HB3' ' A' ' 34' ' ' GLU . 0.9 OUTLIER -84.05 -37.42 22.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.738 -179.641 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.75 ' HG2' HD12 ' A' ' 27' ' ' LEU . 0.0 OUTLIER -71.6 -67.44 0.53 Allowed 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 112.108 0.41 . . . . 0.0 112.108 -178.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.594 ' C ' HD13 ' A' ' 32' ' ' LEU . 3.1 tm? -50.88 -61.03 2.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.974 0.416 . . . . 0.0 111.207 -179.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.912 ' HG3' HG11 ' A' ' 53' ' ' VAL . 26.0 ttmt -50.6 -33.73 23.26 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.338 -179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.621 ' HB3' ' O ' ' A' ' 30' ' ' SER . 0.0 OUTLIER -56.56 -45.3 81.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.018 -179.775 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.808 ' HG ' HG12 ' A' ' 13' ' ' VAL . 2.7 mm? -60.19 -44.55 94.99 Favored 'General case' 0 CA--C 1.505 -0.769 0 CA-C-O 121.378 0.608 . . . . 0.0 110.643 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ILE . . . . . 0.963 ' CG2' HD12 ' A' ' 40' ' ' LEU . 1.7 mt -52.03 -50.98 32.7 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.104 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.826 179.292 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.57 -19.54 52.56 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.419 -0.809 . . . . 0.0 110.693 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' A' ' 34' ' ' GLU . 57.3 t30 -82.32 -29.4 31.09 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 120.673 0.273 . . . . 0.0 111.106 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -117.62 -38.67 3.25 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.434 -179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.963 HD12 ' CG2' ' A' ' 36' ' ' ILE . 1.1 mt -94.92 29.96 2.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.051 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.21 -32.13 70.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.866 0.365 . . . . 0.0 110.941 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.413 ' CE1' ' HG ' ' B' ' 1' ' ' SER . 14.0 p80 -83.21 -30.39 27.77 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.08 -179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -145.05 85.95 1.76 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.1 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.588 ' H ' HD12 ' A' ' 44' ' ' LEU . 3.8 mp -70.33 71.84 0.45 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.665 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -61.45 125.69 24.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.265 -179.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.869 ' O ' HD13 ' A' ' 47' ' ' ILE . 0.7 OUTLIER 70.78 10.27 7.0 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.397 179.732 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.95 HG13 HG21 ' A' ' 36' ' ' ILE . 4.9 mm -141.26 105.16 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 121.004 0.431 . . . . 0.0 109.999 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.486 ' HG2' HG21 ' A' ' 52' ' ' VAL . 0.1 OUTLIER -106.44 -47.67 3.73 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.138 -179.228 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.641 ' O ' HG23 ' A' ' 53' ' ' VAL . 24.1 mt-10 -120.91 172.15 8.12 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.376 179.705 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.12 -33.62 63.63 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.001 0.429 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.9 -44.46 85.17 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.596 -179.72 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 56' ' ' VAL . 15.1 m -63.98 -40.63 89.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.677 -179.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.928 HG22 HG23 ' A' ' 47' ' ' ILE . 1.6 t -53.62 -54.87 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 C-N-CA 120.909 -0.316 . . . . 0.0 110.807 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.68 -37.27 40.13 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.162 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.478 ' HB3' HG12 ' C' ' 10' ' ' ILE . 0.9 OUTLIER -74.4 -34.78 63.39 Favored 'General case' 0 N--CA 1.45 -0.458 0 CA-C-N 115.367 -0.833 . . . . 0.0 109.156 178.281 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.7 HG23 ' O ' ' A' ' 52' ' ' VAL . 70.0 t -60.95 -62.67 1.0 Allowed 'Isoleucine or valine' 0 N--CA 1.454 -0.232 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.767 178.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.438 ' HE3' ' HA ' ' A' ' 29' ' ' LYS . 0.0 OUTLIER -55.0 -29.78 58.06 Favored 'General case' 0 C--O 1.231 0.084 0 CA-C-O 120.98 0.419 . . . . 0.0 110.131 178.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.428 ' N ' ' HG3' ' A' ' 57' ' ' MET . 1.6 mt-10 -75.0 -31.32 61.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.827 -0.624 . . . . 0.0 109.493 178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' THR . . . . . 0.815 HG23 ' HB3' ' C' ' 8' ' ' ASN . 60.0 m -72.0 -17.39 62.05 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.196 -0.911 . . . . 0.0 110.34 179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.964 HD13 ' HB2' ' A' ' 76' ' ' PHE . 0.1 OUTLIER -104.04 -24.04 13.25 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.663 179.288 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -44.05 124.9 4.1 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.586 -179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -121.04 -40.74 2.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.817 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -162.39 52.91 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.407 ' HA3' ' CE ' ' A' ' 26' ' ' LYS . . . -124.4 0.77 8.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.861 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.28 13.54 9.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.588 0.233 . . . . 0.0 111.215 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.65 -3.42 8.7 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.596 -0.811 . . . . 0.0 113.176 179.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.473 ' HB3' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -96.69 172.58 7.81 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-O 121.0 0.429 . . . . 0.0 110.438 179.854 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . 0.582 ' SG ' HD12 ' A' ' 60' ' ' LEU . 0.1 OUTLIER -128.91 85.83 2.37 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.643 179.541 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . 0.531 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . 1.1 p-10 -77.65 -156.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.484 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' PHE . . . . . 0.495 ' CD1' HG23 ' A' ' 11' ' ' ILE . 0.4 OUTLIER -73.32 -44.56 58.75 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.923 0.392 . . . . 0.0 111.088 -179.822 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.419 ' CG ' ' OD1' ' A' ' 69' ' ' ASP . 1.4 pt20 -56.7 -30.02 63.03 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 120.896 0.379 . . . . 0.0 110.901 -179.388 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.532 ' HG3' ' HA ' ' A' ' 68' ' ' CYS . 1.5 mm-40 -72.46 -33.2 66.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.3 179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PHE . . . . . 0.658 ' O ' HG22 ' A' ' 77' ' ' VAL . 0.5 OUTLIER -55.3 -42.93 74.33 Favored 'General case' 0 CA--C 1.521 -0.135 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 178.651 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' MET . . . . . 0.442 ' O ' ' CB ' ' A' ' 78' ' ' ALA . 24.8 mmm -58.74 -58.22 9.57 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.139 179.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' O ' ' HE2' ' A' ' 79' ' ' MET . . . -55.54 -23.5 27.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.147 179.432 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' PHE . . . . . 0.964 ' HB2' HD13 ' A' ' 60' ' ' LEU . 20.3 t80 -75.76 -74.74 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.236 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' VAL . . . . . 0.658 HG22 ' O ' ' A' ' 73' ' ' PHE . 1.7 m -58.46 -27.16 32.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.383 -179.643 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' B' ' 78' ' ' ALA . . . -75.68 -45.97 33.95 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.425 0.528 . . . . 0.0 112.425 -179.166 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' MET . . . . . 0.404 ' HE2' ' O ' ' A' ' 75' ' ' ALA . 26.5 mtm -76.52 -54.71 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.027 0.442 . . . . 0.0 111.28 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.833 HG11 ' HG2' ' A' ' 46' ' ' GLU . 95.1 t -53.32 -55.83 11.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.087 -179.363 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.436 ' O ' ' HB3' ' A' ' 85' ' ' HIS . 0.6 OUTLIER -63.93 -48.3 77.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.73 -178.928 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.421 ' N ' ' CG2' ' A' ' 81' ' ' THR . 27.6 m -55.22 -20.56 11.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.611 -0.268 . . . . 0.0 111.597 -179.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.74 -72.5 0.41 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.769 0.319 . . . . 0.0 111.411 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 p -87.94 -50.98 6.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.269 -0.423 . . . . 0.0 112.034 -179.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' HIS . . . . . 0.464 ' HA ' ' CA ' ' A' ' 89' ' ' GLU . 2.9 t60 -47.58 -26.1 1.35 Allowed 'General case' 0 N--CA 1.463 0.178 0 CA-C-O 120.968 0.414 . . . . 0.0 110.67 -179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 53.3 tt0 -44.73 -64.13 0.76 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.437 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.95 -20.03 7.02 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.743 179.727 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CZ ' ' HB ' ' C' ' 3' ' ' THR . 11.7 m-85 -88.26 -17.82 29.91 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.903 179.658 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.486 ' O ' ' CG ' ' A' ' 90' ' ' HIS . 0.1 OUTLIER 66.01 -72.06 0.08 Allowed 'General case' 0 N--CA 1.462 0.175 0 CA-C-O 120.633 0.254 . . . . 0.0 111.066 179.661 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' HIS . . . . . 0.486 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 1.6 m-70 164.91 115.98 0.01 OUTLIER 'General case' 0 CA--C 1.52 -0.202 0 CA-C-O 121.257 0.551 . . . . 0.0 110.039 179.717 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.249 1.05 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.901 179.965 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' SER . . . . . 0.413 ' HG ' ' CE1' ' A' ' 42' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.487 1.379 0 CA-C-O 120.779 0.323 . . . . 0.0 111.19 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -58.97 -24.75 62.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.102 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' LEU . . . . . 0.642 ' HB2' HD21 ' A' ' 40' ' ' LEU . 0.2 OUTLIER -63.27 -52.44 62.02 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.948 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -73.0 -40.32 65.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.898 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . 0.559 ' O ' ' HB2' ' B' ' 9' ' ' ALA . 1.8 mtpp -61.2 -57.51 12.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' ALA . . . . . 0.561 ' HB2' ' HB3' ' A' ' 9' ' ' ALA . . . -56.42 -50.44 71.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.155 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' MET . . . . . 0.532 ' O ' HG13 ' B' ' 11' ' ' ILE . 2.7 ttm -47.91 -66.4 0.41 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.844 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' VAL . . . . . . . . . . . . . 26.0 t -69.72 -17.11 21.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.896 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' ALA . . . . . 0.559 ' HB2' ' O ' ' B' ' 5' ' ' LYS . . . -61.13 -43.68 98.51 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.246 0.546 . . . . 0.0 109.767 179.123 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.463 HD23 ' O ' ' B' ' 6' ' ' ALA . 0.8 OUTLIER -71.27 -38.63 71.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.549 178.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' ILE . . . . . 0.532 HG13 ' O ' ' B' ' 7' ' ' MET . 2.7 mt -66.53 -33.04 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.704 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 178.135 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -51.66 -47.85 63.63 Favored 'General case' 0 CA--C 1.52 -0.195 0 CA-C-N 115.989 -0.551 . . . . 0.0 109.62 178.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' VAL . . . . . 0.799 HG12 ' HG ' ' B' ' 35' ' ' LEU . 15.7 t -55.12 -43.92 72.26 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.036 178.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' PHE . . . . . 0.529 ' C ' ' CD1' ' B' ' 14' ' ' PHE . 0.0 OUTLIER -72.06 -28.14 63.15 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 115.791 -0.64 . . . . 0.0 109.899 178.92 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -66.6 -20.78 66.08 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.946 179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -84.04 -51.9 6.73 Favored 'General case' 0 N--CA 1.452 -0.335 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' TYR . . . . . 0.76 ' CD2' HD11 ' B' ' 35' ' ' LEU . 20.4 m-85 -84.6 -65.2 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.212 179.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' SER . . . . . 0.508 ' CB ' ' CD2' ' B' ' 14' ' ' PHE . 2.0 t -51.94 133.49 32.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.511 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . 0.643 ' H ' ' HG2' ' B' ' 24' ' ' LYS . . . 58.76 79.77 0.1 OUTLIER Glycine 0 N--CA 1.449 -0.434 0 C-N-CA 120.941 -0.647 . . . . 0.0 112.195 179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.58 -62.45 1.64 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.696 0.284 . . . . 0.0 111.434 -179.475 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.45 25.61 11.14 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.074 -179.831 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLY . . . . . . . . . . . . . . . 93.81 -32.42 5.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.431 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -59.78 -31.63 69.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.765 0.317 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' LYS . . . . . 0.643 ' HG2' ' H ' ' B' ' 19' ' ' GLY . 0.1 OUTLIER -97.3 160.63 14.22 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.099 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' HIS . . . . . 0.609 ' O ' ' HG2' ' B' ' 26' ' ' LYS . 3.5 t-160 -165.37 52.36 0.11 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.776 -179.223 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LYS . . . . . 0.888 ' O ' HD13 ' B' ' 27' ' ' LEU . 1.4 mtpp -164.11 168.27 19.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.357 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LEU . . . . . 0.888 HD13 ' O ' ' B' ' 26' ' ' LYS . 0.5 OUTLIER -132.99 137.91 46.67 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.789 0.328 . . . . 0.0 110.213 178.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 16.1 mttt -93.69 179.51 5.34 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.198 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' LYS . . . . . 0.426 ' HA ' ' HE3' ' B' ' 57' ' ' MET . 20.7 mmtp -52.7 -34.95 54.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.399 179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' SER . . . . . 0.608 ' O ' ' HB3' ' B' ' 34' ' ' GLU . 0.9 OUTLIER -84.04 -37.34 22.25 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.729 -179.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' GLU . . . . . 0.752 ' HG2' HD12 ' B' ' 27' ' ' LEU . 0.0 OUTLIER -71.72 -67.45 0.53 Allowed 'General case' 0 C--O 1.232 0.138 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -178.929 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' LEU . . . . . 0.597 HD13 ' C ' ' B' ' 32' ' ' LEU . 3.1 tm? -50.72 -61.0 2.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.098 0.475 . . . . 0.0 111.294 -179.293 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.935 ' HG3' HG11 ' B' ' 53' ' ' VAL . 26.1 ttmt -50.77 -33.65 24.11 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.267 -179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.608 ' HB3' ' O ' ' B' ' 30' ' ' SER . 0.0 OUTLIER -56.64 -45.32 81.63 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.042 -179.801 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LEU . . . . . 0.799 ' HG ' HG12 ' B' ' 13' ' ' VAL . 2.7 mm? -60.04 -44.55 94.59 Favored 'General case' 0 CA--C 1.505 -0.776 0 CA-C-O 121.444 0.64 . . . . 0.0 110.748 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ILE . . . . . 0.957 ' CG2' HD12 ' B' ' 40' ' ' LEU . 1.7 mt -52.15 -50.96 33.88 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.079 0 CA-C-N 115.092 -0.958 . . . . 0.0 109.724 179.351 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.61 -19.45 52.68 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.49 -0.777 . . . . 0.0 110.718 178.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' B' ' 34' ' ' GLU . 57.4 t30 -82.39 -29.3 30.93 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.635 -0.257 . . . . 0.0 111.081 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' GLU . . . . . 0.436 ' N ' ' O ' ' B' ' 35' ' ' LEU . 18.7 mt-10 -117.77 -38.6 3.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.761 0.315 . . . . 0.0 111.364 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.957 HD12 ' CG2' ' B' ' 36' ' ' ILE . 1.1 mt -95.09 30.12 2.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.014 -179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.26 -32.16 70.9 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.906 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' HIS . . . . . 0.402 ' CE1' ' HG ' ' A' ' 1' ' ' SER . 14.0 p80 -83.09 -30.5 27.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.097 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -144.98 85.9 1.77 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.156 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' LEU . . . . . 0.577 HD12 ' H ' ' B' ' 44' ' ' LEU . 3.8 mp -70.31 71.81 0.45 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.699 179.804 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -61.53 125.63 24.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.235 -179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' GLU . . . . . 0.875 ' HG2' HG11 ' B' ' 80' ' ' VAL . 0.7 OUTLIER 70.84 10.22 6.96 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.412 179.776 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' ILE . . . . . 0.967 HG23 HG22 ' B' ' 53' ' ' VAL . 4.9 mm -141.23 105.1 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.05 0.453 . . . . 0.0 110.119 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' LYS . . . . . 0.488 ' HG2' HG21 ' B' ' 52' ' ' VAL . 0.1 OUTLIER -106.36 -47.7 3.73 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.088 -179.178 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' GLU . . . . . 0.628 ' O ' HG23 ' B' ' 53' ' ' VAL . 24.0 mt-10 -120.78 172.14 8.1 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.396 179.769 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -74.25 -33.55 63.34 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.984 0.421 . . . . 0.0 110.876 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -65.89 -44.54 84.98 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.527 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' VAL . . . . . 0.685 ' O ' HG23 ' B' ' 56' ' ' VAL . 15.0 m -63.97 -40.68 89.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.663 -179.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' VAL . . . . . 0.967 HG22 HG23 ' B' ' 47' ' ' ILE . 1.6 t -53.52 -54.85 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.262 0 C-N-CA 120.879 -0.328 . . . . 0.0 110.85 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -50.88 -37.15 41.88 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.447 -0.575 . . . . 0.0 109.447 179.271 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' LYS . . . . . 0.461 ' HB3' HG12 ' D' ' 10' ' ' ILE . 0.9 OUTLIER -74.34 -34.79 63.53 Favored 'General case' 0 N--CA 1.45 -0.441 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.148 178.191 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' VAL . . . . . 0.685 HG23 ' O ' ' B' ' 52' ' ' VAL . 69.8 t -60.98 -62.65 1.01 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.202 0 CA-C-N 115.747 -0.661 . . . . 0.0 109.697 178.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' MET . . . . . 0.43 ' HG3' ' N ' ' B' ' 58' ' ' GLU . 0.0 OUTLIER -55.14 -29.7 58.28 Favored 'General case' 0 C--O 1.23 0.057 0 CA-C-O 120.995 0.426 . . . . 0.0 110.101 179.093 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' GLU . . . . . 0.43 ' N ' ' HG3' ' B' ' 57' ' ' MET . 1.6 mt-10 -74.98 -31.26 61.41 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.514 178.462 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' THR . . . . . 0.813 HG23 ' HB3' ' D' ' 8' ' ' ASN . 58.8 m -72.03 -17.38 62.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.248 -0.887 . . . . 0.0 110.317 179.2 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' LEU . . . . . 0.947 HD13 ' HB2' ' B' ' 76' ' ' PHE . 0.1 OUTLIER -104.09 -24.04 13.24 Favored 'General case' 0 C--O 1.231 0.11 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.598 179.324 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -43.98 124.93 4.07 Favored 'General case' 0 N--CA 1.461 0.107 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.545 -179.543 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -121.03 -40.79 2.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.819 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -162.39 52.97 0.21 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' GLY . . . . . 0.417 ' HA3' ' CE ' ' B' ' 26' ' ' LYS . . . -124.48 0.84 8.76 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.845 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.21 13.61 9.09 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.668 0.271 . . . . 0.0 111.245 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' GLY . . . . . . . . . . . . . . . 124.6 -3.52 8.73 Favored Glycine 0 C--N 1.331 0.292 0 C-N-CA 120.53 -0.843 . . . . 0.0 113.227 179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLU . . . . . 0.476 ' HB3' ' HB3' ' B' ' 26' ' ' LYS . 0.0 OUTLIER -96.7 172.67 7.75 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 120.971 0.415 . . . . 0.0 110.445 179.872 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' CYS . . . . . 0.593 ' SG ' HD12 ' B' ' 60' ' ' LEU . 0.1 OUTLIER -128.97 85.7 2.35 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.854 -0.612 . . . . 0.0 110.684 179.617 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' ASP . . . . . 0.559 ' HB3' ' HG2' ' B' ' 26' ' ' LYS . 1.1 p-10 -77.52 -156.16 0.08 Allowed 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.738 -0.385 . . . . 0.0 110.504 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' PHE . . . . . 0.512 ' CD1' HG23 ' B' ' 11' ' ' ILE . 0.4 OUTLIER -73.36 -44.5 58.61 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.968 0.413 . . . . 0.0 111.134 -179.783 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' B' ' 72' ' ' GLU . 1.4 pt20 -56.67 -30.08 63.02 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.962 0.41 . . . . 0.0 110.917 -179.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLU . . . . . 0.549 ' HG3' ' HA ' ' B' ' 68' ' ' CYS . 1.5 mm-40 -72.47 -33.16 66.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.269 179.428 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 77' ' ' VAL . 0.5 OUTLIER -55.36 -42.83 74.44 Favored 'General case' 0 C--N 1.332 -0.158 0 N-CA-C 109.472 -0.566 . . . . 0.0 109.472 178.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' MET . . . . . 0.443 ' O ' ' CB ' ' B' ' 78' ' ' ALA . 24.2 mmm -58.83 -58.27 9.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.198 179.557 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' ALA . . . . . 0.427 ' O ' ' HE2' ' B' ' 79' ' ' MET . . . -55.44 -23.51 25.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.172 179.405 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' PHE . . . . . 0.947 ' HB2' HD13 ' B' ' 60' ' ' LEU . 20.4 t80 -75.82 -74.82 0.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.191 -179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 73' ' ' PHE . 1.7 m -58.29 -27.2 32.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.429 -179.695 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' ALA . . . . . 0.626 ' HB2' ' HB2' ' A' ' 78' ' ' ALA . . . -75.77 -46.01 33.13 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 112.301 0.482 . . . . 0.0 112.301 -179.077 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' MET . . . . . 0.427 ' HE2' ' O ' ' B' ' 75' ' ' ALA . 26.7 mtm -76.42 -54.83 6.18 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.021 0.438 . . . . 0.0 111.267 -179.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' VAL . . . . . 0.875 HG11 ' HG2' ' B' ' 46' ' ' GLU . 94.0 t -53.2 -55.83 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.8 -0.636 . . . . 0.0 112.068 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' THR . . . . . 0.443 ' O ' ' HB3' ' B' ' 85' ' ' HIS . 0.6 OUTLIER -63.97 -48.41 76.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.672 -178.831 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.425 ' N ' ' CG2' ' B' ' 81' ' ' THR . 27.5 m -55.17 -20.59 10.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.649 -0.251 . . . . 0.0 111.54 -179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' ALA . . . . . . . . . . . . . . . -80.64 -72.71 0.4 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.803 0.335 . . . . 0.0 111.353 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' CYS . . . . . . . . . . . . . 7.7 p -87.88 -51.05 6.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.312 -0.404 . . . . 0.0 112.059 -179.375 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' HIS . . . . . 0.46 ' HA ' ' CA ' ' B' ' 89' ' ' GLU . 2.9 t60 -47.39 -26.27 1.27 Allowed 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.907 0.384 . . . . 0.0 110.685 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -44.56 -64.19 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.527 179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -120.97 -19.92 7.05 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.718 179.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.479 ' CZ ' ' HB ' ' D' ' 3' ' ' THR . 11.8 m-85 -88.32 -17.78 29.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.902 179.621 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' GLU . . . . . 0.491 ' O ' ' CG ' ' B' ' 90' ' ' HIS . 0.1 OUTLIER 66.02 -72.08 0.08 Allowed 'General case' 0 N--CA 1.462 0.16 0 CA-C-O 120.662 0.268 . . . . 0.0 111.079 179.657 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' HIS . . . . . 0.491 ' CG ' ' O ' ' B' ' 89' ' ' GLU . 1.6 m-70 164.95 116.08 0.01 OUTLIER 'General case' 0 CA--C 1.519 -0.218 0 CA-C-O 121.274 0.559 . . . . 0.0 110.04 179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.28 -0.867 . . . . 0.0 110.927 179.951 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.486 1.343 0 CA-C-O 120.866 0.365 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.5 -71.27 0.1 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.665 179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' THR . . . . . 0.486 ' HB ' ' CZ ' ' A' ' 88' ' ' PHE . 10.6 t -98.43 1.68 47.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.297 179.736 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' LYS . . . . . 1.047 ' C ' HD13 ' C' ' 5' ' ' ILE . 0.0 OUTLIER -85.8 -2.39 58.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.743 -0.208 . . . . 0.0 111.014 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' ILE . . . . . 1.047 HD13 ' C ' ' C' ' 4' ' ' LYS . 0.2 OUTLIER 31.31 41.75 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.395 0 CA-C-O 121.629 0.728 . . . . 0.0 111.14 -179.693 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' ASP . . . . . 0.503 ' HB2' ' HD3' ' C' ' 4' ' ' LYS . 4.8 t0 -59.61 78.91 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.749 -1.114 . . . . 0.0 112.686 -178.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' TRP . . . . . 0.621 ' CD2' HG22 ' A' ' 80' ' ' VAL . 18.8 m0 -79.02 -54.34 6.12 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 108.512 -0.921 . . . . 0.0 108.512 177.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' ASN . . . . . 0.815 ' HB3' HG23 ' A' ' 59' ' ' THR . 6.4 t-20 178.36 -100.57 0.0 OUTLIER 'General case' 0 CA--C 1.535 0.395 0 CA-C-N 115.095 -0.957 . . . . 0.0 110.477 178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' LYS . . . . . 0.411 ' HD2' ' HG2' ' A' ' 55' ' ' LYS . 0.0 OUTLIER -98.46 -33.16 11.13 Favored 'General case' 0 CA--C 1.535 0.383 0 N-CA-C 113.269 0.84 . . . . 0.0 113.269 -179.395 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' ILE . . . . . 0.748 HG23 HD23 ' C' ' 11' ' ' LEU . 0.0 OUTLIER -54.77 -55.08 17.44 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 C-N-CA 120.735 -0.386 . . . . 0.0 111.931 -178.288 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' LEU . . . . . 0.748 HD23 HG23 ' C' ' 10' ' ' ILE . 3.5 mm? -89.02 -33.5 17.15 Favored 'General case' 0 N--CA 1.449 -0.485 0 N-CA-C 108.39 -0.967 . . . . 0.0 108.39 178.551 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' SER . . . . . 0.454 ' OXT' ' CE ' ' C' ' 4' ' ' LYS . 46.0 t . . . . . 0 C--O 1.248 0.996 0 CA-C-N 114.965 -1.016 . . . . 0.0 112.119 178.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.487 1.396 0 CA-C-O 120.75 0.309 . . . . 0.0 111.166 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.48 -71.25 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.654 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' THR . . . . . 0.479 ' HB ' ' CZ ' ' B' ' 88' ' ' PHE . 10.7 t -98.44 1.69 47.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.362 179.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' LYS . . . . . 1.031 ' C ' HD13 ' D' ' 5' ' ' ILE . 0.0 OUTLIER -85.84 -2.36 58.16 Favored 'General case' 0 N--CA 1.454 -0.245 0 CA-C-N 116.699 -0.228 . . . . 0.0 111.082 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' ILE . . . . . 1.031 HD13 ' C ' ' D' ' 4' ' ' LYS . 0.2 OUTLIER 31.36 41.73 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 CA-C-O 121.585 0.707 . . . . 0.0 111.149 -179.735 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' ASP . . . . . 0.497 ' HB2' ' HD3' ' D' ' 4' ' ' LYS . 4.8 t0 -59.62 78.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.75 -1.114 . . . . 0.0 112.737 -178.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' TRP . . . . . 0.632 ' CD2' HG22 ' B' ' 80' ' ' VAL . 18.9 m0 -79.05 -54.26 6.19 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 108.505 -0.924 . . . . 0.0 108.505 177.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' ASN . . . . . 0.813 ' HB3' HG23 ' B' ' 59' ' ' THR . 6.4 t-20 178.31 -100.52 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 115.09 -0.959 . . . . 0.0 110.466 178.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' LYS . . . . . 0.41 ' HD2' ' HG2' ' B' ' 55' ' ' LYS . 0.0 OUTLIER -98.55 -33.14 11.1 Favored 'General case' 0 CA--C 1.535 0.384 0 N-CA-C 113.204 0.816 . . . . 0.0 113.204 -179.391 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' ILE . . . . . 0.744 HG23 HD23 ' D' ' 11' ' ' LEU . 0.0 OUTLIER -54.74 -55.15 17.02 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.353 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.916 -178.271 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' LEU . . . . . 0.744 HD23 HG23 ' D' ' 10' ' ' ILE . 3.5 mm? -88.91 -33.52 17.27 Favored 'General case' 0 N--CA 1.448 -0.537 0 N-CA-C 108.481 -0.933 . . . . 0.0 108.481 178.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' SER . . . . . 0.458 ' OXT' ' CE ' ' D' ' 4' ' ' LYS . 46.3 t . . . . . 0 C--O 1.248 0.999 0 CA-C-N 114.866 -1.061 . . . . 0.0 112.099 178.586 . . . . . . . . 1 1 . 1 stop_ save_