data_2hep_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 2hep _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 ' 4' ' ' ASN . . . . . 0.509 ' ND2' ' H ' ' A' ' 6' ' ' LYS . 3.2 p-10 . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.642 0.258 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.52 -10.97 1.09 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.449 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.509 ' H ' ' ND2' ' A' ' 4' ' ' ASN . 19.7 ttmt -68.23 -58.75 3.94 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.92 -46.28 80.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.17 -47.53 84.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.964 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -60.21 -50.22 74.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.5 mt -52.03 -54.41 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.045 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -40.18 87.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.673 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -60.61 -60.06 4.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.722 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.93 -47.07 86.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.887 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.13 -56.68 17.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.2 84.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -63.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.384 . . . . 0.0 110.056 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.69 -25.91 60.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.232 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -74.13 -57.79 3.73 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.47 -0.96 16.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.32 -76.82 1.25 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 m -156.37 -38.78 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.768 0.318 . . . . 0.0 110.412 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 22' ' ' ILE . 0.3 OUTLIER 69.8 132.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.32 -179.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -131.94 151.24 51.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.535 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -49.51 -42.74 44.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.5 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -59.35 -53.13 61.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.545 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 40.8 mt-10 -62.34 -52.36 63.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.259 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -52.56 -39.17 61.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.16 99.36 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.716 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.38 -59.54 5.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 5.2 mt-30 -50.65 -29.5 11.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.827 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -57.13 -60.43 3.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 33' ' ' LEU . 13.1 pttm -59.0 -40.24 84.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.947 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 60.0 mt -57.56 -58.4 8.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -66.34 -41.67 89.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.528 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 120.963 0.411 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.07 -5.72 3.34 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.594 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -65.71 -38.64 89.77 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.7 mm -57.0 -54.46 29.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.44 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . -59.79 -36.27 76.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.464 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -59.09 -50.87 72.42 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.441 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.3 mt -52.5 -59.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -61.73 -38.73 89.0 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.07 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.59 -54.66 43.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.993 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tt -55.83 -45.68 78.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.611 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.51 -56.53 19.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.746 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.8 79.51 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.495 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -60.83 -64.84 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.83 -20.71 52.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.426 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -64.38 -65.42 0.68 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.071 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.56 -2.98 25.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.536 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.94 -75.56 1.3 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.3 t -152.11 -63.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.775 0.321 . . . . 0.0 110.72 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 69.05 146.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.321 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.22 169.96 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.326 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 9.2 mp0 -48.92 -36.53 17.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.359 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.5 -56.8 17.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.89 -51.65 60.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.617 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -51.5 -42.37 61.64 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.75 96.6 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -57.43 -57.52 12.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.216 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -49.68 -42.89 46.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.825 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -58.1 -41.66 84.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.741 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -59.73 -51.51 69.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.351 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.22 -52.24 65.15 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.073 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -59.71 -42.25 92.64 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.208 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.338 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 120.563 0.22 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.06 -20.63 62.8 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.018 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -68.02 -32.58 73.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.906 0.384 . . . . 0.0 110.168 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mt -57.01 -64.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.562 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.3 -33.17 65.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.144 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -60.1 -75.91 0.05 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.713 0.292 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -52.87 -39.19 30.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -59.17 -61.35 2.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -58.66 -40.62 83.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.714 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -59.46 -47.72 84.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.15 -43.22 78.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.635 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.3 77.06 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.115 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.2 mmmt -62.13 -63.27 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.76 -21.22 62.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.389 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.72 -69.5 0.22 Allowed 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.51 -8.9 59.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.316 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . -100.61 5.29 56.86 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 t 67.05 99.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.869 0.366 . . . . 0.0 110.677 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tt -58.02 144.65 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.53 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 p -109.73 156.3 20.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -52.24 -49.1 64.68 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.25 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.37 -41.83 94.53 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.432 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -63.75 -46.58 84.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -52.36 -47.44 66.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.51 87.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.26 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -57.27 -59.25 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.281 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.52 -35.56 30.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -57.53 -51.23 70.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.951 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -58.76 -51.53 69.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.6 mt -56.21 -40.12 73.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.63 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -70.9 -34.57 71.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.964 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.688 -179.662 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.803 0.335 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.99 -6.4 3.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.396 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.466 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -68.13 -60.66 2.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.585 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mp -55.85 -50.88 65.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.65 76.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 tpp85 -61.67 -68.34 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.551 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.5 mt -52.26 -42.22 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.146 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -58.32 -51.42 69.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.622 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -58.55 -45.41 89.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.224 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.95 -50.73 72.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.59 -57.25 11.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.374 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.15 83.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.32 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.07 -59.03 5.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.82 -26.13 57.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.772 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -63.23 -62.74 1.49 Allowed 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 0.17 11.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.55 -76.11 1.22 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 m -156.61 -36.79 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.405 0.145 . . . . 0.0 110.624 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp 41.41 97.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.509 0.671 . . . . 0.0 111.436 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.2 p -108.84 161.59 14.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.744 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -52.61 -41.99 64.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.99 -55.28 32.57 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.631 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.66 -45.91 87.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.372 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -54.16 -44.33 71.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.83 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.725 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -58.41 -68.31 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -50.91 -35.42 33.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -58.88 -38.9 79.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -60.4 -49.68 76.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.489 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -55.41 -45.96 76.67 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -53.35 -55.77 22.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.095 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.431 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 1.3 m120 . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.817 0.342 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.3 -27.04 32.55 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.289 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -68.04 -46.15 71.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.885 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.2 mt -55.6 -51.55 57.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.098 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.29 79.84 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -60.17 -74.3 0.08 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.713 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mt -49.54 -41.25 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.857 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -60.73 -58.85 6.7 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.098 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.59 -39.91 81.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.757 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.87 -45.35 94.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.6 -52.04 63.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.294 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -34.21 77.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.366 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' GLY . 26.0 ttmt -61.37 -62.23 1.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.09 -18.02 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.444 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -64.18 -67.76 0.41 Allowed 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.37 -6.33 54.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.649 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . -99.49 -3.71 56.29 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 t 67.41 94.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 121.133 0.492 . . . . 0.0 110.659 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -51.99 135.46 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.463 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.614 ' HG1' ' H ' ' A' ' 26' ' ' GLU . 25.1 p -112.95 154.27 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.076 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 24.5 mp0 -49.03 -40.8 32.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.36 -50.82 72.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.395 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.614 ' H ' ' HG1' ' A' ' 23' ' ' THR . 53.8 mt-10 -63.59 -47.27 82.15 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.662 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -50.62 -45.13 57.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.49 99.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.073 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -58.77 -56.98 15.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.874 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -48.79 -38.25 21.48 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.358 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -55.89 -39.61 71.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.885 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -59.81 -53.97 51.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.715 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.73 -49.88 73.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -58.24 -38.54 77.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.353 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.213 179.726 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.531 0.205 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.72 65.88 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.705 0.288 . . . . 0.0 110.715 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -68.26 -32.48 72.69 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 7' ' ' ILE . 93.6 mt -53.87 -62.07 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.078 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.52 -37.27 70.22 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.539 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -62.32 -44.92 95.39 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.294 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.7 mt -53.45 -63.44 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.19 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 9.5 p-10 -61.11 -33.36 73.24 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.922 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -60.24 -47.0 87.83 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.742 0.306 . . . . 0.0 110.184 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 13' ' ' LEU . 2.9 tm? -60.05 -46.03 90.89 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.834 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.6 -53.62 44.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.273 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.54 83.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -62.15 2.07 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 22' ' ' ILE . . . -58.51 -22.45 55.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.235 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -71.46 -67.27 0.53 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.68 -6.36 46.32 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.85 -75.67 1.16 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p -177.2 100.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' ALA . 4.1 tt -89.91 138.87 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.778 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.0 p -135.97 165.53 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.923 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -49.23 -35.83 18.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -60.21 -62.13 2.09 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -64.38 -42.47 96.13 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -54.73 -43.49 72.69 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.779 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.91 92.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.86 0.362 . . . . 0.0 110.268 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -64.67 0.84 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.123 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -49.02 -38.7 24.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.67 -47.49 84.31 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -60.45 -58.5 8.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.041 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.79 -37.99 69.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.774 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -58.7 -41.78 87.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.41 179.883 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.509 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.874 0.369 . . . . 0.0 110.821 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.98 -29.22 59.93 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.158 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -68.09 -58.62 4.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.69 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.0 mm -56.32 -53.29 41.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.604 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.13 -34.4 68.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.13 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.95 -51.43 61.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.294 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.75 -66.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.967 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 17.5 p-10 -58.02 -46.06 85.9 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -178.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.19 -62.02 2.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.688 0.28 . . . . 0.0 111.094 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -45.76 88.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.3 -61.69 2.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.295 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.29 80.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.342 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -62.51 -65.78 0.64 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.887 0.375 . . . . 0.0 110.303 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.81 -20.64 37.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.412 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -79.18 -52.68 7.84 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.359 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.22 -2.66 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.025 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.81 -76.89 1.29 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.0 m -159.67 -45.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.535 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 67.99 122.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.061 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -123.78 170.36 10.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.284 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -50.72 -43.22 57.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -59.51 -50.67 73.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.591 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.67 -52.19 58.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.412 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -53.95 -42.67 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.62 96.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.31 -61.2 2.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -48.86 -36.98 18.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.312 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -56.13 -45.07 79.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.2 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -58.82 -60.47 3.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.001 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.26 -56.02 27.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.317 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -49.98 -41.9 47.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 -179.81 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.45 -18.24 49.99 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -68.8 -47.22 66.66 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.926 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.413 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 33.0 mt -55.66 -54.28 27.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.084 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.0 -34.82 66.15 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.735 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -63.71 -46.47 85.27 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.125 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.0 mt -51.52 -64.37 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.046 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 5.8 p-10 -60.31 -38.23 83.04 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.792 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.31 -52.99 62.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.393 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.33 -41.48 89.22 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.394 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.02 -52.56 62.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.091 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.7 92.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.26 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -61.11 -61.33 2.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.683 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -58.07 -20.2 37.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.125 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -60.6 -66.39 0.54 Allowed 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.61 -7.18 55.99 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.462 177.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.4 5.16 57.14 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.567 ' O ' ' CB ' ' A' ' 22' ' ' ILE . 1.9 t 74.61 -65.07 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 C-N-CA 122.621 0.368 . . . . 0.0 110.57 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.567 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 3.7 tp 129.34 138.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 124.676 1.235 . . . . 0.0 109.532 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.5 p -107.35 152.04 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.173 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -50.62 -46.26 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.377 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.54 -48.53 81.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.809 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -63.91 -50.07 70.17 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.041 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -50.26 -48.87 54.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.756 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.44 86.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.342 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.59 -57.66 11.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.373 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -48.47 -33.54 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.716 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -55.58 -55.26 34.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.7 0.286 . . . . 0.0 110.954 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -61.08 -54.8 40.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -54.67 -37.15 65.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.299 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -70.46 -60.11 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.205 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? . . . . . 0 CA--C 1.531 0.214 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.032 -179.418 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.463 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 120.464 0.174 . . . . 0.0 111.22 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' ASN . . . -30.77 -57.43 0.21 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -69.28 -66.34 0.59 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -52.84 -49.84 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.435 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 4' ' ' ASN . . . -55.82 -40.39 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.664 0.268 . . . . 0.0 111.018 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -61.13 -73.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.4 mt -47.53 -34.7 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -59.01 -70.08 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.565 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.22 -35.06 76.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.053 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -58.71 -65.64 0.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.79 73.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.24 83.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.46 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -60.28 -64.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.841 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.61 -21.51 60.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.542 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -60.51 -68.74 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.33 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.886 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.02 6.56 58.4 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t 74.39 99.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.008 0.432 . . . . 0.0 110.351 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.2 tt -81.88 142.42 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.594 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -115.6 160.16 20.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.655 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.47 -33.54 45.06 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.17 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.22 -47.27 85.95 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.812 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.65 -42.04 98.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -53.5 -43.48 68.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.461 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.95 91.9 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.612 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -57.34 -63.48 1.21 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.75 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -50.03 -30.33 10.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.435 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -37.88 76.62 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.796 0.331 . . . . 0.0 110.865 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -59.46 -62.03 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.943 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.95 -41.81 71.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.683 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -61.21 -43.66 98.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.701 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.692 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.98 -28.64 67.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.81 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -66.01 -58.38 5.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.992 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 7' ' ' ILE . 1.7 mp -57.26 -42.75 80.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.04 61.56 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.075 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -67.1 -58.37 5.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -54.18 -61.73 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.649 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -55.46 -39.89 70.92 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.137 -178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.71 -50.36 72.74 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -45.33 95.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.169 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.23 -47.15 75.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.347 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.38 84.3 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.553 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' GLY . 62.0 mttt -62.55 -62.65 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.124 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.57 -18.07 50.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.514 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -72.29 -69.15 0.42 Allowed 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.811 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.73 -6.05 52.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.657 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . -100.98 -29.88 6.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 t 49.32 76.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.056 0.455 . . . . 0.0 110.199 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.6 pt -87.85 -130.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.716 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 25' ' ' GLU . 32.1 m -107.68 141.35 39.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.655 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.22 -28.09 25.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.469 ' H ' HG22 ' A' ' 23' ' ' THR . 20.4 tp10 -57.07 -50.59 72.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.193 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.02 -47.67 76.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.333 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -55.21 -42.67 73.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.572 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.1 88.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -59.42 -70.37 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.438 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -52.93 -31.54 40.72 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.472 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -56.68 -37.45 70.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.053 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -58.37 -57.88 10.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.883 0.373 . . . . 0.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.51 -33.59 68.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.857 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -66.45 -50.32 63.74 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.43 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.455 179.698 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.689 0.28 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.66 -13.58 10.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -67.53 -42.77 82.21 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.745 0.307 . . . . 0.0 110.241 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.408 HG22 HD11 ' A' ' 7' ' ' ILE . 27.1 mm -56.68 -46.39 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.586 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . -58.88 -37.92 77.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.252 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -58.55 -48.51 80.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.228 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.09 -61.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.421 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.586 ' ND2' ' HA ' ' A' ' 8' ' ' ALA . 1.5 p30 -62.48 -38.11 88.57 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.294 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.33 -59.07 5.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.736 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -36.12 72.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.553 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.24 -63.66 1.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.452 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.87 -33.69 75.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.756 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -60.45 -58.5 8.21 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -21.61 61.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.063 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -78.62 -69.55 0.56 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.143 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.53 -4.93 39.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.131 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.58 -68.16 0.84 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 p -172.75 99.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 110.111 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 tp -91.06 146.16 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.418 ' HG1' ' H ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -173.44 163.95 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.345 -179.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -47.5 -33.29 6.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.418 ' H ' ' HG1' ' A' ' 23' ' ' THR . 16.9 mt-10 -59.12 -66.7 0.46 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.616 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.12 -44.37 92.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.609 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -53.01 -45.53 67.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.72 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.93 97.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -56.21 -59.22 5.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.26 -41.22 60.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.6 -38.99 75.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -59.74 -62.18 2.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mt -55.93 -39.82 72.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.029 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -61.76 -41.25 97.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.977 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 . . . . . 0 C--N 1.331 -0.196 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.203 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.497 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . 0.468 ' H ' ' CG ' ' A' ' 4' ' ' ASN . . . -69.44 -20.39 63.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.426 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -66.61 -38.31 86.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 4' ' ' ASN . 20.6 mt -57.22 -47.06 84.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.834 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.24 -42.54 81.68 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.289 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -59.97 -63.58 1.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.026 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -51.32 -51.59 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.753 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -59.96 -58.17 9.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.466 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.27 -51.81 68.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.232 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.12 -52.52 65.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.664 0.268 . . . . 0.0 110.629 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.46 -58.96 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.33 74.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -62.6 -67.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.133 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.15 60.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.36 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -78.53 -35.99 45.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.62 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.02 -23.1 58.13 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.338 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.5 -76.96 1.25 Allowed Glycine 0 CA--C 1.525 0.703 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.393 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 m -165.13 87.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 tt -69.58 165.42 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.076 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.97 164.88 18.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.543 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -49.86 -31.18 11.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.12 -61.49 2.52 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.15 -44.92 95.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.858 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -39.11 70.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.35 86.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -57.7 -65.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.397 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.74 -20.53 2.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.763 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -53.23 -42.7 66.67 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.657 0.265 . . . . 0.0 110.998 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -59.93 -64.23 1.02 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.06 -41.16 74.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.733 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -64.45 -39.16 93.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.017 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.095 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.486 ' ND2' ' H ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.745 0.307 . . . . 0.0 110.746 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.95 -12.3 0.8 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.329 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.466 ' HB2' ' ND2' ' A' ' 4' ' ' ASN . 32.5 mmtm -66.87 -56.25 11.14 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mm -57.1 -49.46 79.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.378 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.58 -38.39 69.31 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -61.14 -75.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.8 mt -52.11 -37.22 21.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.312 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -58.0 -64.09 1.03 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.507 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.82 -30.62 69.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.941 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.34 -61.21 2.76 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.652 0.263 . . . . 0.0 110.438 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.92 69.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.752 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.48 98.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.331 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -62.9 -59.58 4.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.965 0.412 . . . . 0.0 110.186 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.71 -23.08 49.89 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.272 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -81.49 -45.19 16.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.26 -15.25 60.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.766 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' CG1' ' A' ' 21' ' ' VAL . . . -100.87 -77.11 1.25 Allowed Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.326 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -175.04 88.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.5 tt -68.84 160.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.41 153.24 40.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -50.72 -32.68 20.22 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.105 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.29 -55.33 34.97 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.458 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -62.71 -40.49 97.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.534 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -53.14 -44.82 68.04 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.384 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.62 98.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.448 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -56.87 -55.8 29.74 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -51.09 -43.73 61.11 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.708 0.289 . . . . 0.0 110.662 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -59.53 -40.99 88.98 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.47 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -61.02 -54.15 48.38 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -54.75 -49.24 71.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.637 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.2 -44.73 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.539 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.588 -179.908 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.581 0.229 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.45 56.09 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.167 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -68.9 -45.2 71.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.967 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.406 HG21 HD11 ' A' ' 7' ' ' ILE . 26.1 mm -56.41 -56.71 12.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.283 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.93 -36.07 67.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.029 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -60.98 -76.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.789 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.42 HD11 HG21 ' A' ' 10' ' ' ILE . 96.7 mt -52.9 -34.44 20.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.034 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -58.48 -58.68 7.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.656 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.45 -47.09 86.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.29 -51.9 67.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.33 67.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -61.71 -40.01 93.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.69 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -63.37 -55.07 27.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.155 0.502 . . . . 0.0 109.777 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.19 -27.38 61.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.421 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -84.43 -29.78 25.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.24 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -74.61 -75.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.379 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.413 ' O ' ' HB ' ' A' ' 21' ' ' VAL . . . -101.23 -77.13 1.24 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 20' ' ' GLY . 2.1 p 162.2 97.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.52 -170.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.783 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 m -95.42 147.05 23.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -51.82 -42.21 62.35 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.515 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -58.18 -50.96 71.71 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.18 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -61.76 -41.89 98.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.65 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -56.39 -39.31 72.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.774 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.1 91.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.692 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.29 -50.55 72.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.011 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -50.92 -38.86 52.64 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.789 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -56.63 -41.11 76.57 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.448 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -59.74 -55.64 31.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.58 -52.82 63.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.713 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.67 -49.45 62.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 -179.854 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.482 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.513 0.196 . . . . 0.0 110.609 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.51 -18.86 3.1 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.352 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.465 ' CG ' HD22 ' A' ' 4' ' ' ASN . 26.6 mmtm -67.4 -42.22 83.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.805 0.336 . . . . 0.0 110.49 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.7 mm -55.33 -51.03 60.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.35 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.503 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -59.29 -36.86 76.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.89 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -61.69 -53.98 48.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.916 0.389 . . . . 0.0 110.661 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -55.14 -60.85 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.738 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -58.35 -29.96 66.38 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.4 -66.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.567 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pp -61.09 -26.25 67.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.06 -70.94 0.1 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.302 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.98 82.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.596 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -61.66 -61.54 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.77 -18.24 30.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.159 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -67.62 0.47 Allowed 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.013 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.42 -5.15 46.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.611 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.37 -75.49 1.17 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 p -172.56 100.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.0 tp -85.46 118.38 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 m -107.42 144.91 33.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.255 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -48.84 -30.7 6.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -59.86 -65.49 0.67 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.36 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -65.73 -40.07 91.8 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.227 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -53.76 -42.69 68.49 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.16 93.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.863 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.75 -69.53 0.17 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.715 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -40.38 36.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -57.11 -43.44 82.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.876 0.37 . . . . 0.0 110.244 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -60.48 -63.06 1.43 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.267 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.41 -39.66 70.47 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -57.36 -49.81 74.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.554 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.546 ' N ' HD21 ' A' ' 4' ' ' ASN . 1.1 m120 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 -30.5 48.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.83 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -69.23 -57.23 5.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.541 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.4 mt -54.56 -46.78 72.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.174 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.47 -43.97 72.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.262 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -62.13 -47.45 84.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.388 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.2 mt -56.59 -62.7 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.989 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.42 HD21 ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -59.3 -28.97 67.26 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.614 -178.779 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.42 ' N ' HD21 ' A' ' 11' ' ' ASN . 88.0 tt0 -60.02 -49.06 79.14 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.1 -52.32 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.444 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.53 -36.16 71.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.76 89.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -61.5 -51.94 66.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.55 -17.21 19.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.756 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -88.83 -48.31 7.57 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.237 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.33 44.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.923 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.5 -76.93 1.13 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.566 ' O ' ' CB ' ' A' ' 22' ' ' ILE . 1.6 p 176.97 -44.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 121.342 -0.143 . . . . 0.0 110.712 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.566 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 12.2 tt 118.86 165.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 124.462 1.101 . . . . 0.0 110.185 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.5 p -141.36 153.29 45.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.051 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -49.09 -41.84 36.96 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.477 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -61.07 -49.5 77.1 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.722 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.74 -39.46 94.19 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -52.04 -50.63 61.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.82 91.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -57.31 -54.57 45.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.973 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.75 -50.61 24.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -59.38 -37.69 78.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.682 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -59.19 -58.09 10.17 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.5 mt -56.51 -37.51 70.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.704 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -66.03 -39.36 90.11 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.685 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.908 179.655 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.511 ' N ' HD21 ' A' ' 4' ' ' ASN . 1.6 m120 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.847 0.356 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.78 -34.42 58.0 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.934 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -67.49 -52.86 34.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.113 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' A' ' 11' ' ' ASN . 2.7 mp -56.15 -52.63 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.303 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.5 -45.01 73.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.345 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -60.47 -75.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.765 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.9 mt -49.45 -38.94 13.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.236 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 30.1 t30 -59.95 -54.08 50.34 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.662 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.34 -52.41 65.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.74 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.0 -54.44 46.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.751 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.47 -57.08 11.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.7 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -61.32 -62.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.78 -18.93 24.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.214 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -75.74 -63.43 1.3 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.328 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.83 -6.72 48.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.476 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.52 -70.64 0.92 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 p -174.12 100.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.933 0.397 . . . . 0.0 110.146 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -92.32 136.24 25.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 p -139.18 161.29 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.977 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -50.7 -35.42 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.438 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -59.75 -47.47 85.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.744 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -61.73 -53.8 51.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.447 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -52.8 -37.67 60.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.63 76.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.291 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -57.48 -57.24 13.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.65 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -50.62 -45.25 57.5 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -57.63 -37.73 73.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.687 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.93 -50.98 71.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.296 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.2 -62.04 1.99 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 34' ' ' ARG . 35.5 mtt85 -46.47 -52.13 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.16 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.676 179.829 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 . . . . . 0 C--O 1.232 0.172 0 N-CA-C 110.616 -0.142 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.43 -26.06 3.01 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.124 0.487 . . . . 0.0 110.239 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -69.61 -49.56 52.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.339 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.7 mt -54.07 -48.87 64.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.077 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.56 -39.0 72.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.344 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -62.34 -75.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.507 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.9 mt -46.55 -42.27 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.716 0.293 . . . . 0.0 110.684 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -59.44 -66.62 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.537 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.36 -41.73 94.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.244 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.55 -56.7 18.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.91 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.19 -52.58 51.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.08 98.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.322 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -64.34 -62.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -20.26 16.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.262 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -75.25 -68.39 0.56 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.95 -4.0 35.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.65 -75.89 1.15 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p 176.74 100.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.65 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 tt -94.83 137.29 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.342 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.3 p -115.75 171.67 7.61 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.705 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -50.77 -44.83 58.81 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.78 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.16 -54.69 44.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.642 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.71 -53.07 60.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.978 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -53.08 -48.69 67.55 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.01 81.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.662 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.3 -63.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -49.5 -26.99 3.82 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.076 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -55.35 -54.48 43.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -59.76 -60.99 2.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.407 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.0 mt -53.52 -64.43 0.82 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.076 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -47.42 -42.26 21.82 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.181 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.411 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.17 -22.68 0.25 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.253 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -68.97 -72.9 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.445 ' N ' ' CD1' ' A' ' 7' ' ' ILE . 1.4 mp -56.04 -38.9 55.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.529 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.19 80.41 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.538 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -60.48 -69.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.613 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pt -53.41 -36.3 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.209 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -61.95 -62.02 2.08 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 110.34 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -57.19 -48.06 79.69 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.438 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -51.59 68.65 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.142 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.66 -56.12 22.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.35 97.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 51.3 tttm -64.18 -60.84 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.397 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.11 -16.28 7.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.135 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -83.37 -67.49 0.79 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.186 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.52 -1.8 22.97 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . -101.39 -76.34 1.19 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 m -161.34 91.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.458 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -82.39 129.03 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.135 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 m -135.48 154.83 51.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 25' ' ' GLU . 10.6 pt-20 -45.75 -40.28 9.28 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.345 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.45 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 23.3 mt-10 -59.05 -55.78 30.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.659 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.35 -38.51 91.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -53.13 -44.56 67.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.169 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.32 -50.84 72.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.87 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.89 -67.38 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.852 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.21 -21.11 1.21 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.139 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -56.24 -46.9 79.39 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.405 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -59.65 -68.43 0.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.539 ' H ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.37 -39.57 46.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.498 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.7 ttp85 -61.55 -46.14 91.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.017 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.371 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . 0.404 ' C ' ' H ' ' A' ' 6' ' ' LYS . 81.3 m-20 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.841 0.353 . . . . 0.0 111.26 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -6.96 5.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 4' ' ' ASN . 58.9 tttm -65.0 -56.04 15.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.12 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.41 -43.55 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.879 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.05 -40.22 76.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -61.86 -74.11 0.09 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.587 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.2 mt -46.83 -39.4 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -58.67 -60.95 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.204 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -44.51 97.06 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.808 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -58.31 -48.53 80.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.7 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.48 -61.46 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.021 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.15 77.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.196 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.43 -66.71 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.35 -20.59 44.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -85.12 -66.46 0.89 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.14 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.46 -4.59 34.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.575 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.46 -76.55 1.23 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 m -164.52 90.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -68.03 124.11 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.956 0.408 . . . . 0.0 110.504 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -112.95 148.9 34.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.573 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -50.95 -41.66 59.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.328 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.66 -50.19 74.83 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.389 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -62.68 -37.67 87.34 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.123 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -53.88 -45.58 71.08 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.108 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.12 99.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.259 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.26 -62.86 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.44 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.27 -25.93 4.24 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.431 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -54.82 -55.71 27.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.049 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -60.55 -56.97 14.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.04 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.4 mt -55.0 -48.8 72.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -59.38 -42.26 91.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.837 0.351 . . . . 0.0 110.459 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--O 1.233 0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.124 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptp . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.4 mm -73.42 149.62 8.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.588 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.1 p -170.27 19.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.656 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.509 ' ND2' ' H ' ' A' ' 6' ' ' LYS . 3.2 p-10 -77.92 -156.7 0.09 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.52 -10.97 1.09 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.449 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.509 ' H ' ' ND2' ' A' ' 4' ' ' ASN . 19.7 ttmt -68.23 -58.75 3.94 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.8 mp -55.92 -46.28 80.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.125 179.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.17 -47.53 84.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.964 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -60.21 -50.22 74.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.5 mt -52.03 -54.41 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.045 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -59.75 -40.18 87.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.673 -179.579 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -60.61 -60.06 4.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.722 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 tt -58.93 -47.07 86.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.887 -179.612 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.13 -56.68 17.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.2 84.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -63.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.384 . . . . 0.0 110.056 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.69 -25.91 60.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.232 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -74.13 -57.79 3.73 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.47 -0.96 16.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.32 -76.82 1.25 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 11.3 m -156.37 -38.78 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.768 0.318 . . . . 0.0 110.412 179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.408 HG23 HD13 ' A' ' 22' ' ' ILE . 0.3 OUTLIER 69.8 132.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.32 -179.624 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -131.94 151.24 51.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.535 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -49.51 -42.74 44.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.5 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -59.35 -53.13 61.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.545 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 40.8 mt-10 -62.34 -52.36 63.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.259 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -52.56 -39.17 61.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.16 99.36 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.716 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.38 -59.54 5.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 5.2 mt-30 -50.65 -29.5 11.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.827 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -57.13 -60.43 3.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 33' ' ' LEU . 13.1 pttm -59.0 -40.24 84.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.947 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 60.0 mt -57.56 -58.4 8.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -66.34 -41.67 89.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -60.81 -39.27 88.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.528 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -64.72 -54.22 34.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.243 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -53.67 -45.99 70.48 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.532 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.0 -37.68 77.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.691 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -65.68 -31.12 71.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.527 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -100.33 -29.04 6.88 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.502 ' C ' ' O ' ' A' ' 40' ' ' GLY . 40.7 t80 19.89 -106.85 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 122.789 0.436 . . . . 0.0 111.783 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.778 0.323 . . . . 0.0 110.472 179.802 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.8 mt -108.71 -70.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.45 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.515 ' HG ' ' H ' ' A' ' 4' ' ' ASN . 35.0 p 44.74 -113.97 0.38 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.796 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.515 ' H ' ' HG ' ' A' ' 3' ' ' SER . 7.3 p30 43.12 -159.56 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.963 0.411 . . . . 0.0 112.074 179.793 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.07 -5.72 3.34 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.594 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -65.71 -38.64 89.77 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.7 mm -57.0 -54.46 29.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.44 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . -59.79 -36.27 76.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.464 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -59.09 -50.87 72.42 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.441 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.3 mt -52.5 -59.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.44 ' ND2' ' HA ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -61.73 -38.73 89.0 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.07 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.59 -54.66 43.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.993 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.6 tt -55.83 -45.68 78.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.611 -179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.51 -56.53 19.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.746 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.8 79.51 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.495 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -60.83 -64.84 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.83 -20.71 52.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.426 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -64.38 -65.42 0.68 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.071 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.56 -2.98 25.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.536 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.94 -75.56 1.3 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.3 t -152.11 -63.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.775 0.321 . . . . 0.0 110.72 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 69.05 146.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.321 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.22 169.96 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.326 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.512 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 9.2 mp0 -48.92 -36.53 17.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.359 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.5 -56.8 17.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.89 -51.65 60.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.617 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -51.5 -42.37 61.64 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.75 96.6 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -57.43 -57.52 12.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.216 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -49.68 -42.89 46.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.825 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -58.1 -41.66 84.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.741 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -59.73 -51.51 69.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.351 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.22 -52.24 65.15 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.073 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.541 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 14.7 ttm180 -59.71 -42.25 92.64 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.208 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -58.7 -29.31 66.56 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.28 -63.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.116 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -56.5 -51.17 69.49 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.062 0.458 . . . . 0.0 110.732 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.93 -65.07 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.435 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -65.26 -12.72 54.46 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.778 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.93 -4.72 88.43 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.16 133.55 55.38 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.607 0.241 . . . . 0.0 110.644 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 . . . . . 0 C--O 1.232 0.173 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.798 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 11.9 tt -71.84 158.33 6.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.509 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -105.64 30.14 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.246 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t30 -142.45 -68.42 0.36 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.551 -179.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.06 -20.63 62.8 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.018 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -68.02 -32.58 73.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.906 0.384 . . . . 0.0 110.168 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mt -57.01 -64.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.562 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.3 -33.17 65.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.144 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -60.1 -75.91 0.05 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.713 0.292 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -52.87 -39.19 30.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -59.17 -61.35 2.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -58.66 -40.62 83.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.714 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 4.2 tt -59.46 -47.72 84.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.29 179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.15 -43.22 78.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.635 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.3 77.06 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.115 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.2 mmmt -62.13 -63.27 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.76 -21.22 62.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.389 179.406 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.72 -69.5 0.22 Allowed 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.51 -8.9 59.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.316 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . -100.61 5.29 56.86 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 t 67.05 99.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.869 0.366 . . . . 0.0 110.677 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.1 tt -58.02 144.65 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.53 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 p -109.73 156.3 20.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -52.24 -49.1 64.68 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.25 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.37 -41.83 94.53 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.432 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -63.75 -46.58 84.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -52.36 -47.44 66.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.51 87.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.26 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -57.27 -59.25 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.281 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -50.52 -35.56 30.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -57.53 -51.23 70.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.951 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -58.76 -51.53 69.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.6 mt -56.21 -40.12 73.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.63 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -70.9 -34.57 71.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.964 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -59.86 -49.69 76.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.688 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.51 -43.61 93.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.333 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -54.28 -50.2 67.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.748 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.81 -43.23 85.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.579 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -65.21 -30.08 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.546 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.85 0.71 82.68 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -66.42 -77.02 0.07 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.488 0.185 . . . . 0.0 111.054 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 CA--C 1.533 0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.388 -179.286 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mtt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.422 ' C ' ' H ' ' A' ' 4' ' ' ASN . 3.3 tt -133.44 -17.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.244 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m 73.4 -45.13 0.6 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.339 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.422 ' H ' ' C ' ' A' ' 2' ' ' ILE . 1.0 OUTLIER -62.41 109.05 1.23 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.99 -6.4 3.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.396 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.466 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -68.13 -60.66 2.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.585 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 2.2 mp -55.85 -50.88 65.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.65 76.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 tpp85 -61.67 -68.34 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.551 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.5 mt -52.26 -42.22 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.146 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -58.32 -51.42 69.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.622 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -58.55 -45.41 89.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.224 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tt -59.95 -50.73 72.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.59 -57.25 11.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.374 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.15 83.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.32 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.07 -59.03 5.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.82 -26.13 57.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.772 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -63.23 -62.74 1.49 Allowed 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 0.17 11.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.55 -76.11 1.22 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 3.6 m -156.61 -36.79 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.405 0.145 . . . . 0.0 110.624 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp 41.41 97.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.509 0.671 . . . . 0.0 111.436 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.2 p -108.84 161.59 14.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.744 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -52.61 -41.99 64.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.99 -55.28 32.57 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.631 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.66 -45.91 87.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.372 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -54.16 -44.33 71.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.83 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.725 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -58.41 -68.31 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -50.91 -35.42 33.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -58.88 -38.9 79.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -60.4 -49.68 76.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.489 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 81.7 mt -55.41 -45.96 76.67 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -53.35 -55.77 22.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -63.59 -38.03 89.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.095 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.21 -44.8 90.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.033 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -53.47 -33.58 54.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.59 -50.81 72.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.582 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -65.19 -35.41 80.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.974 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.34 5.49 67.63 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -172.63 93.87 0.12 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.744 0.307 . . . . 0.0 110.328 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 . . . . . 0 C--N 1.332 -0.159 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 -179.732 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 mmt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.0 mm -76.05 148.85 6.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.32 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.438 ' C ' ' H ' ' A' ' 5' ' ' ALA . 41.4 m -156.8 14.51 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.359 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.431 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 1.3 m120 66.37 0.09 1.64 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.488 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 3' ' ' SER . . . -82.3 -27.04 32.55 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.289 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -68.04 -46.15 71.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.885 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.2 mt -55.6 -51.55 57.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.098 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.29 79.84 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -60.17 -74.3 0.08 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.713 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mt -49.54 -41.25 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.857 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -60.73 -58.85 6.7 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.098 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.59 -39.91 81.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.757 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -60.87 -45.35 94.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.6 -52.04 63.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.294 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -34.21 77.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.366 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' GLY . 26.0 ttmt -61.37 -62.23 1.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.09 -18.02 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.444 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -64.18 -67.76 0.41 Allowed 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.37 -6.33 54.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.649 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.411 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . -99.49 -3.71 56.29 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 t 67.41 94.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 121.133 0.492 . . . . 0.0 110.659 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -51.99 135.46 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.463 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.614 ' HG1' ' H ' ' A' ' 26' ' ' GLU . 25.1 p -112.95 154.27 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.076 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.434 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 24.5 mp0 -49.03 -40.8 32.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.36 -50.82 72.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.395 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.614 ' H ' ' HG1' ' A' ' 23' ' ' THR . 53.8 mt-10 -63.59 -47.27 82.15 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.662 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -50.62 -45.13 57.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.49 99.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.073 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -58.77 -56.98 15.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.874 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -48.79 -38.25 21.48 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.358 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -55.89 -39.61 71.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.885 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -59.81 -53.97 51.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.715 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.73 -49.88 73.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -58.24 -38.54 77.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.353 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -60.96 -41.26 95.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.213 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -66.52 -41.39 88.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.501 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -52.01 -55.13 22.42 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -59.91 -42.58 94.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.283 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -65.46 -16.09 63.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.388 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.91 -17.98 42.01 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.85 127.23 30.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.592 0.234 . . . . 0.0 110.397 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.698 -179.789 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.406 ' H3 ' ' H ' ' A' ' 2' ' ' ILE . 3.9 tpt . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.502 HG23 HD13 ' A' ' 2' ' ' ILE . 0.3 OUTLIER -121.55 -44.56 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.327 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 2' ' ' ILE . 1.7 m 59.77 -138.36 0.69 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.037 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.06 -104.42 0.22 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.72 65.88 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.705 0.288 . . . . 0.0 110.715 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -68.26 -32.48 72.69 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.419 HD11 HG21 ' A' ' 7' ' ' ILE . 93.6 mt -53.87 -62.07 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.078 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.52 -37.27 70.22 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.539 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.2 ttp85 -62.32 -44.92 95.39 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.294 179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.7 mt -53.45 -63.44 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.19 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 9.5 p-10 -61.11 -33.36 73.24 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.922 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -60.24 -47.0 87.83 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.742 0.306 . . . . 0.0 110.184 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.432 ' CD1' ' C ' ' A' ' 13' ' ' LEU . 2.9 tm? -60.05 -46.03 90.89 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.834 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.6 -53.62 44.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.273 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.54 83.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -62.15 2.07 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 22' ' ' ILE . . . -58.51 -22.45 55.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.235 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -71.46 -67.27 0.53 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.68 -6.36 46.32 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.85 -75.67 1.16 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p -177.2 100.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' ALA . 4.1 tt -89.91 138.87 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.778 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.0 p -135.97 165.53 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.923 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -49.23 -35.83 18.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -60.21 -62.13 2.09 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -64.38 -42.47 96.13 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -54.73 -43.49 72.69 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.779 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.91 92.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.86 0.362 . . . . 0.0 110.268 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -64.67 0.84 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.123 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -49.02 -38.7 24.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.67 -47.49 84.31 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -60.45 -58.5 8.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.041 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 82.2 mt -55.79 -37.99 69.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.774 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -58.7 -41.78 87.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -62.39 -40.14 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.41 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -65.63 -43.45 89.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.595 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.38 -38.51 59.06 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.213 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.34 -61.02 2.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.746 0.308 . . . . 0.0 110.42 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -66.05 -13.66 60.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.617 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.22 -15.18 56.29 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.2 -87.7 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.501 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 . . . . . 0 C--O 1.231 0.13 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.227 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.411 HG21 ' ND2' ' A' ' 4' ' ' ASN . 6.8 mm -117.05 -63.15 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.407 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p 47.02 89.1 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.352 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.509 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.0 OUTLIER -165.78 -155.26 0.22 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.98 -29.22 59.93 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.158 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -68.09 -58.62 4.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.69 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.0 mm -56.32 -53.29 41.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.604 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.13 -34.4 68.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.13 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.95 -51.43 61.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.294 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.75 -66.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.967 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 17.5 p-10 -58.02 -46.06 85.9 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -178.731 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.19 -62.02 2.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.688 0.28 . . . . 0.0 111.094 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -58.61 -45.76 88.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.334 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.3 -61.69 2.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.295 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.29 80.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.342 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -62.51 -65.78 0.64 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.887 0.375 . . . . 0.0 110.303 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.81 -20.64 37.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.412 179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -79.18 -52.68 7.84 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.359 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.22 -2.66 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.025 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.81 -76.89 1.29 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 8.0 m -159.67 -45.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.535 179.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER 67.99 122.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.061 -179.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -123.78 170.36 10.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.284 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -50.72 -43.22 57.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -59.51 -50.67 73.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.591 179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.67 -52.19 58.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.412 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -53.95 -42.67 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.62 96.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.31 -61.2 2.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -48.86 -36.98 18.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.312 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -56.13 -45.07 79.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.2 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -58.82 -60.47 3.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.001 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.26 -56.02 27.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.317 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -49.98 -41.9 47.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -61.29 -42.53 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.6 -38.01 88.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.669 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -52.73 -36.25 57.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.45 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.79 -36.18 76.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.426 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 tttp -66.65 -47.61 71.98 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.318 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.14 -0.66 57.54 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.04 138.74 58.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.616 0.245 . . . . 0.0 110.552 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 179.793 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.421 HG21 ' H ' ' A' ' 5' ' ' ALA . 14.7 tt -162.02 -13.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.401 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 70.54 20.16 5.95 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.323 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -153.04 -79.01 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.323 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.421 ' H ' HG21 ' A' ' 2' ' ' ILE . . . -60.45 -18.24 49.99 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -68.8 -47.22 66.66 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.926 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.413 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 33.0 mt -55.66 -54.28 27.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.084 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.0 -34.82 66.15 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.735 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -63.71 -46.47 85.27 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.125 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.0 mt -51.52 -64.37 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.046 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 5.8 p-10 -60.31 -38.23 83.04 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.792 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.31 -52.99 62.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.393 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 tt -59.33 -41.48 89.22 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.394 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.02 -52.56 62.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.091 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.7 92.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.26 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -61.11 -61.33 2.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.683 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -58.07 -20.2 37.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.125 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -60.6 -66.39 0.54 Allowed 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.61 -7.18 55.99 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.462 177.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.4 5.16 57.14 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.567 ' O ' ' CB ' ' A' ' 22' ' ' ILE . 1.9 t 74.61 -65.07 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 C-N-CA 122.621 0.368 . . . . 0.0 110.57 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.567 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 3.7 tp 129.34 138.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 124.676 1.235 . . . . 0.0 109.532 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.5 p -107.35 152.04 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.173 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 6.2 mp0 -50.62 -46.26 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.377 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.54 -48.53 81.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.809 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -63.91 -50.07 70.17 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.041 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -50.26 -48.87 54.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.756 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.44 86.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.342 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.59 -57.66 11.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.373 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -48.47 -33.54 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.716 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -55.58 -55.26 34.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.7 0.286 . . . . 0.0 110.954 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -61.08 -54.8 40.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -54.67 -37.15 65.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.299 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -70.46 -60.11 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.205 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -61.75 -29.88 70.41 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.032 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -65.76 -47.06 76.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.426 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -50.8 -38.9 51.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.799 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.9 mt -56.8 -60.31 3.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.144 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 5.9 mptt -66.36 -14.92 62.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.341 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.43 -9.1 63.52 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -62.11 119.38 8.83 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.74 0.305 . . . . 0.0 110.426 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.458 -179.881 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.5 mt -78.25 139.64 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.623 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 t -173.19 65.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.348 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.463 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -171.85 -113.8 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.22 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' ASN . . . -30.77 -57.43 0.21 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -69.28 -66.34 0.59 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.9 mp -52.84 -49.84 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.435 -178.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.426 ' N ' ' O ' ' A' ' 4' ' ' ASN . . . -55.82 -40.39 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.664 0.268 . . . . 0.0 111.018 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -61.13 -73.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.4 mt -47.53 -34.7 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -59.01 -70.08 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.565 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.22 -35.06 76.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.053 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 5.5 tt -58.71 -65.64 0.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.79 73.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.24 83.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.46 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -60.28 -64.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.841 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.61 -21.51 60.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.542 179.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -60.51 -68.74 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.33 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.886 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.02 6.56 58.4 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 t 74.39 99.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.008 0.432 . . . . 0.0 110.351 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 16.2 tt -81.88 142.42 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.594 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -115.6 160.16 20.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.655 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.47 -33.54 45.06 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.17 179.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.22 -47.27 85.95 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.812 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.65 -42.04 98.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -53.5 -43.48 68.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.461 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.95 91.9 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.612 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -57.34 -63.48 1.21 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.75 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -50.03 -30.33 10.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.435 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -37.88 76.62 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.796 0.331 . . . . 0.0 110.865 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -59.46 -62.03 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.943 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.95 -41.81 71.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.683 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -61.21 -43.66 98.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.701 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -61.33 -42.24 98.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.692 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -64.84 -43.95 91.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.474 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -51.2 -49.83 60.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.378 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -59.82 -43.26 94.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.367 179.444 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -64.98 -18.48 65.32 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.314 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.22 -19.12 29.13 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -64.32 98.88 0.25 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.903 0.382 . . . . 0.0 110.573 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.423 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mt -101.62 -53.78 7.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.196 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 m 41.05 80.06 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.324 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -154.91 -142.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.943 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.98 -28.64 67.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.81 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -66.01 -58.38 5.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.992 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.405 ' N ' ' CD1' ' A' ' 7' ' ' ILE . 1.7 mp -57.26 -42.75 80.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.04 61.56 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.075 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -67.1 -58.37 5.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -54.18 -61.73 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.649 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -55.46 -39.89 70.92 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.137 -178.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.71 -50.36 72.74 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -61.13 -45.33 95.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.169 179.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.23 -47.15 75.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.347 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.38 84.3 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.553 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' GLY . 62.0 mttt -62.55 -62.65 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.124 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.57 -18.07 50.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.514 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -72.29 -69.15 0.42 Allowed 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.811 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.73 -6.05 52.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.657 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . -100.98 -29.88 6.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 t 49.32 76.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.056 0.455 . . . . 0.0 110.199 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.6 pt -87.85 -130.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.716 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 25' ' ' GLU . 32.1 m -107.68 141.35 39.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.655 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.22 -28.09 25.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.469 ' H ' HG22 ' A' ' 23' ' ' THR . 20.4 tp10 -57.07 -50.59 72.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.193 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.02 -47.67 76.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.333 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -55.21 -42.67 73.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.572 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.1 88.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -59.42 -70.37 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.438 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -52.93 -31.54 40.72 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.472 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -56.68 -37.45 70.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.053 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -58.37 -57.88 10.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.883 0.373 . . . . 0.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.51 -33.59 68.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.857 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -66.45 -50.32 63.74 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.43 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.06 -33.84 75.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.455 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -66.2 -47.2 74.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.687 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -49.55 -35.77 21.5 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 mt -58.94 -52.64 64.87 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.769 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -61.95 -28.26 69.41 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.46 5.48 83.26 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -172.93 98.17 0.13 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.771 0.286 . . . . 0.0 110.988 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 . . . . . 0 N--CA 1.467 0.384 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.184 179.662 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.9 mt 55.48 94.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 p -142.98 72.08 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.26 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -138.32 -154.34 0.53 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.671 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.66 -13.58 10.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -67.53 -42.77 82.21 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.745 0.307 . . . . 0.0 110.241 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.408 HG22 HD11 ' A' ' 7' ' ' ILE . 27.1 mm -56.68 -46.39 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.134 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.586 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . -58.88 -37.92 77.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.252 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -58.55 -48.51 80.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.228 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.09 -61.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.421 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.586 ' ND2' ' HA ' ' A' ' 8' ' ' ALA . 1.5 p30 -62.48 -38.11 88.57 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.294 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.33 -59.07 5.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.736 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -36.12 72.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.553 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.24 -63.66 1.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.452 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.87 -33.69 75.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.756 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -60.45 -58.5 8.21 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -21.61 61.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.063 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -78.62 -69.55 0.56 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.143 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.53 -4.93 39.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.131 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.58 -68.16 0.84 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 p -172.75 99.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 110.111 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 tp -91.06 146.16 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.418 ' HG1' ' H ' ' A' ' 25' ' ' GLU . 0.8 OUTLIER -173.44 163.95 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.345 -179.619 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -47.5 -33.29 6.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.418 ' H ' ' HG1' ' A' ' 23' ' ' THR . 16.9 mt-10 -59.12 -66.7 0.46 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.616 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.12 -44.37 92.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.609 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -53.01 -45.53 67.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.72 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.93 97.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -56.21 -59.22 5.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.26 -41.22 60.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.6 -38.99 75.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -59.74 -62.18 2.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mt -55.93 -39.82 72.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.029 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.549 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 38.8 ttm105 -61.76 -41.25 97.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.977 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -59.56 -30.12 68.41 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.07 -64.25 0.94 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.83 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.549 ' CD2' ' HA ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -55.2 -58.82 6.14 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.373 179.529 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -53.57 -32.89 52.74 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.619 -178.471 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -58.06 -43.03 86.69 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 41' ' ' PHE . . . -91.13 -9.06 64.03 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 177.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t80 90.23 -161.01 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.007 0.523 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 . . . . . 0 N--CA 1.464 0.254 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.958 179.793 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.516 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.8 mpp? . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mm -128.04 -30.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.281 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -89.66 92.51 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.353 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.497 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.1 OUTLIER -173.55 -118.91 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.315 -179.726 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.468 ' H ' ' CG ' ' A' ' 4' ' ' ASN . . . -69.44 -20.39 63.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.426 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -66.61 -38.31 86.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.461 HD11 ' N ' ' A' ' 4' ' ' ASN . 20.6 mt -57.22 -47.06 84.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.834 178.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.24 -42.54 81.68 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.289 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -59.97 -63.58 1.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.026 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -51.32 -51.59 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.753 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -59.96 -58.17 9.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.466 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.27 -51.81 68.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.232 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -58.12 -52.52 65.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.664 0.268 . . . . 0.0 110.629 -179.605 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.46 -58.96 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.33 74.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -62.6 -67.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.133 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.15 60.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.36 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -78.53 -35.99 45.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.62 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.02 -23.1 58.13 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.338 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.5 -76.96 1.25 Allowed Glycine 0 CA--C 1.525 0.703 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.393 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.8 m -165.13 87.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 tt -69.58 165.42 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.076 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.97 164.88 18.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.543 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -49.86 -31.18 11.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.12 -61.49 2.52 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.15 -44.92 95.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.858 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -39.11 70.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.35 86.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -57.7 -65.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.397 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.74 -20.53 2.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.763 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -53.23 -42.7 66.67 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.657 0.265 . . . . 0.0 110.998 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -59.93 -64.23 1.02 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.06 -41.16 74.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.733 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -64.45 -39.16 93.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.017 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -59.6 -53.74 54.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.095 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -65.53 -40.13 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.635 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' PHE . 56.2 t80 -54.74 -53.37 55.9 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.584 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.15 -29.0 67.09 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.063 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -65.53 -63.82 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.709 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -81.51 -6.78 88.91 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' C ' ' O ' ' A' ' 40' ' ' GLY . 24.9 t80 21.91 65.52 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.978 0.418 . . . . 0.0 111.211 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 . . . . . 0 C--O 1.233 0.215 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.081 -179.206 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mmt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.483 ' C ' ' H ' ' A' ' 4' ' ' ASN . 13.7 mt -98.84 -131.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.448 ' H ' ' CG2' ' A' ' 2' ' ' ILE . 0.7 OUTLIER 59.7 3.56 0.46 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.74 0.305 . . . . 0.0 110.77 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.486 ' ND2' ' H ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -76.96 -166.14 0.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.746 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.95 -12.3 0.8 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.329 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.466 ' HB2' ' ND2' ' A' ' 4' ' ' ASN . 32.5 mmtm -66.87 -56.25 11.14 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mm -57.1 -49.46 79.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.378 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.58 -38.39 69.31 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -61.14 -75.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.8 mt -52.11 -37.22 21.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.312 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -58.0 -64.09 1.03 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.507 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.82 -30.62 69.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.941 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tt -60.34 -61.21 2.76 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.652 0.263 . . . . 0.0 110.438 179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.92 69.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.752 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.48 98.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.331 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -62.9 -59.58 4.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.965 0.412 . . . . 0.0 110.186 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.71 -23.08 49.89 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.272 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -81.49 -45.19 16.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.26 -15.25 60.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.766 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' O ' ' CG1' ' A' ' 21' ' ' VAL . . . -100.87 -77.11 1.25 Allowed Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.326 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.441 ' CG1' ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -175.04 88.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.5 tt -68.84 160.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.41 153.24 40.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -50.72 -32.68 20.22 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.105 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.29 -55.33 34.97 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.458 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -62.71 -40.49 97.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.534 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -53.14 -44.82 68.04 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.384 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.62 98.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.448 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -56.87 -55.8 29.74 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.6 mt-30 -51.09 -43.73 61.11 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.708 0.289 . . . . 0.0 110.662 -179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -59.53 -40.99 88.98 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.47 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -61.02 -54.15 48.38 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -54.75 -49.24 71.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.637 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.2 -44.73 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.539 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.74 -40.51 92.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.588 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -65.36 -42.44 92.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.403 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -54.08 -45.8 71.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.9 mt -59.25 -46.95 87.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.521 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -65.02 -30.4 71.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.114 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.54 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . -87.01 -2.04 84.17 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 75.2 m-85 -165.78 74.91 0.21 Allowed 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.948 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 tpt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.469 ' C ' ' H ' ' A' ' 4' ' ' ASN . 13.2 tt -103.6 -12.77 8.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.377 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.5 ' C ' ' H ' ' A' ' 5' ' ' ALA . 1.4 m 75.03 -34.66 0.27 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.469 ' H ' ' C ' ' A' ' 2' ' ' ILE . 2.5 t-20 73.88 -27.7 0.19 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . 0.5 ' H ' ' C ' ' A' ' 3' ' ' SER . . . -60.41 -19.45 56.09 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.167 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -68.9 -45.2 71.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.967 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.406 HG21 HD11 ' A' ' 7' ' ' ILE . 26.1 mm -56.41 -56.71 12.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.283 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.93 -36.07 67.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.029 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -60.98 -76.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.789 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.42 HD11 HG21 ' A' ' 10' ' ' ILE . 96.7 mt -52.9 -34.44 20.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.034 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -58.48 -58.68 7.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.656 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.45 -47.09 86.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.29 -51.9 67.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.33 67.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -61.71 -40.01 93.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.69 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -63.37 -55.07 27.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.155 0.502 . . . . 0.0 109.777 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.19 -27.38 61.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.421 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -84.43 -29.78 25.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.24 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -74.61 -75.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.379 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.413 ' O ' ' HB ' ' A' ' 21' ' ' VAL . . . -101.23 -77.13 1.24 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.413 ' HB ' ' O ' ' A' ' 20' ' ' GLY . 2.1 p 162.2 97.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.52 -170.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.783 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 m -95.42 147.05 23.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -51.82 -42.21 62.35 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.515 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -58.18 -50.96 71.71 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.18 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -61.76 -41.89 98.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.65 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -56.39 -39.31 72.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.774 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.1 91.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.692 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.29 -50.55 72.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.011 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -50.92 -38.86 52.64 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.789 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -56.63 -41.11 76.57 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.448 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -59.74 -55.64 31.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.58 -52.82 63.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.713 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.67 -49.45 62.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.98 -37.21 83.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -64.82 -41.95 95.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.723 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -52.9 -44.3 66.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -58.89 -39.14 80.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.302 179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -64.63 -26.78 68.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.202 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.493 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . -81.09 6.12 64.23 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.493 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 26.2 m-85 -167.25 91.92 0.4 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.646 0.26 . . . . 0.0 110.526 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.092 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.43 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.6 mpt? . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 tp -67.06 136.74 26.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.371 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -158.74 73.06 0.61 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.06 0.457 . . . . 0.0 110.649 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.482 ' N ' HD21 ' A' ' 4' ' ' ASN . 0.0 OUTLIER -150.74 -146.93 0.21 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.609 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.51 -18.86 3.1 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.352 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.465 ' CG ' HD22 ' A' ' 4' ' ' ASN . 26.6 mmtm -67.4 -42.22 83.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.805 0.336 . . . . 0.0 110.49 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.7 mm -55.33 -51.03 60.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.35 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.503 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -59.29 -36.86 76.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.89 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -61.69 -53.98 48.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.916 0.389 . . . . 0.0 110.661 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -55.14 -60.85 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.738 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -58.35 -29.96 66.38 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.543 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.4 -66.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.567 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pp -61.09 -26.25 67.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.06 -70.94 0.1 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.302 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.98 82.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.596 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -61.66 -61.54 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.77 -18.24 30.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.159 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -67.62 0.47 Allowed 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.013 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.42 -5.15 46.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.611 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.37 -75.49 1.17 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 p -172.56 100.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 7.0 tp -85.46 118.38 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.268 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 m -107.42 144.91 33.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.255 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -48.84 -30.7 6.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -59.86 -65.49 0.67 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.36 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -65.73 -40.07 91.8 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.227 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -53.76 -42.69 68.49 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.16 93.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.863 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.75 -69.53 0.17 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.715 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -40.38 36.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -57.11 -43.44 82.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.876 0.37 . . . . 0.0 110.244 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -60.48 -63.06 1.43 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.267 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.41 -39.66 70.47 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -57.36 -49.81 74.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.554 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -60.54 -44.24 96.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -65.96 -48.86 69.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.921 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -50.97 -41.62 59.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.787 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.26 -40.9 83.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.47 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -65.13 -33.32 75.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.185 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.98 5.13 68.57 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -174.56 79.18 0.03 OUTLIER 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.838 0.352 . . . . 0.0 110.331 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.225 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptt? . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 70.6 mt -96.93 111.62 27.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 t -85.21 22.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.933 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.546 ' N ' HD21 ' A' ' 4' ' ' ASN . 1.1 m120 59.03 23.37 11.51 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.485 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 -30.5 48.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.83 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -69.23 -57.23 5.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.541 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.4 mt -54.56 -46.78 72.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.174 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.47 -43.97 72.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.262 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -62.13 -47.45 84.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.388 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.2 mt -56.59 -62.7 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.989 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.42 HD21 ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -59.3 -28.97 67.26 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.614 -178.779 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.42 ' N ' HD21 ' A' ' 11' ' ' ASN . 88.0 tt0 -60.02 -49.06 79.14 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.1 -52.32 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.444 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.53 -36.16 71.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.76 89.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -61.5 -51.94 66.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.55 -17.21 19.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.756 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -88.83 -48.31 7.57 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.237 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.33 44.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.923 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.5 -76.93 1.13 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.566 ' O ' ' CB ' ' A' ' 22' ' ' ILE . 1.6 p 176.97 -44.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 121.342 -0.143 . . . . 0.0 110.712 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.566 ' CB ' ' O ' ' A' ' 21' ' ' VAL . 12.2 tt 118.86 165.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 124.462 1.101 . . . . 0.0 110.185 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.5 p -141.36 153.29 45.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.051 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -49.09 -41.84 36.96 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.477 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -61.07 -49.5 77.1 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.722 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.74 -39.46 94.19 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -52.04 -50.63 61.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.82 91.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -57.31 -54.57 45.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.973 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.75 -50.61 24.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -59.38 -37.69 78.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.682 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -59.19 -58.09 10.17 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.5 mt -56.51 -37.51 70.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.704 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -66.03 -39.36 90.11 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.685 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.95 -50.24 74.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.908 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.17 -37.74 88.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.331 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -52.77 -54.65 30.97 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.65 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -59.85 -38.53 82.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.539 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -65.36 -34.42 78.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.306 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.27 4.6 71.21 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -173.93 95.44 0.1 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.874 0.368 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.368 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.605 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.8 mt -125.83 -50.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.981 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.1 p 47.79 21.64 0.29 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.209 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.511 ' N ' HD21 ' A' ' 4' ' ' ASN . 1.6 m120 53.86 18.01 1.48 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.78 -34.42 58.0 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.934 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -67.49 -52.86 34.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.113 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.429 ' O ' ' CB ' ' A' ' 11' ' ' ASN . 2.7 mp -56.15 -52.63 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.303 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.5 -45.01 73.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.345 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -60.47 -75.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.765 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.9 mt -49.45 -38.94 13.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.236 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 30.1 t30 -59.95 -54.08 50.34 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.662 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.34 -52.41 65.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.74 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.0 -54.44 46.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.751 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.47 -57.08 11.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.7 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -61.32 -62.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.78 -18.93 24.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.214 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -75.74 -63.43 1.3 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.328 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.83 -6.72 48.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.476 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.52 -70.64 0.92 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 p -174.12 100.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.933 0.397 . . . . 0.0 110.146 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -92.32 136.24 25.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 p -139.18 161.29 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.977 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -50.7 -35.42 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.438 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -59.75 -47.47 85.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.744 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -61.73 -53.8 51.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.447 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -52.8 -37.67 60.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.63 76.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.291 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -57.48 -57.24 13.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.65 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -50.62 -45.25 57.5 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -57.63 -37.73 73.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.687 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.93 -50.98 71.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.296 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.2 -62.04 1.99 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.437 HH11 ' HD2' ' A' ' 34' ' ' ARG . 35.5 mtt85 -46.47 -52.13 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.16 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -62.0 -46.17 90.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.676 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -64.47 -40.11 95.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.148 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -55.86 -60.29 3.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.769 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.33 -41.4 84.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -64.91 -50.81 65.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -44.63 -70.48 0.59 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' C ' ' O ' ' A' ' 40' ' ' GLY . 46.1 t80 20.56 60.68 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.055 0.455 . . . . 0.0 111.183 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.634 -179.348 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.474 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tt -73.69 155.54 6.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.307 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 p -108.39 58.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.495 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -146.4 -93.75 0.09 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.616 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.43 -26.06 3.01 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.124 0.487 . . . . 0.0 110.239 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -69.61 -49.56 52.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.339 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.7 mt -54.07 -48.87 64.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.077 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.56 -39.0 72.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.344 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -62.34 -75.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.507 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.9 mt -46.55 -42.27 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.716 0.293 . . . . 0.0 110.684 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -59.44 -66.62 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.537 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.36 -41.73 94.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.244 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.8 tt -57.55 -56.7 18.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.91 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.19 -52.58 51.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.08 98.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.322 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -64.34 -62.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -20.26 16.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.262 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -75.25 -68.39 0.56 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.95 -4.0 35.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.65 -75.89 1.15 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p 176.74 100.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.65 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 tt -94.83 137.29 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.342 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.3 p -115.75 171.67 7.61 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.705 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -50.77 -44.83 58.81 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.78 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.16 -54.69 44.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.642 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.71 -53.07 60.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.978 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -53.08 -48.69 67.55 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.01 81.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.662 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.3 -63.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -49.5 -26.99 3.82 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.076 -179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -55.35 -54.48 43.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -59.76 -60.99 2.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.407 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.0 mt -53.52 -64.43 0.82 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.076 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -47.42 -42.26 21.82 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.181 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -61.54 -59.59 4.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.411 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 40' ' ' GLY . 36.2 mm-40 -62.19 -37.65 86.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -56.8 -65.68 0.57 Allowed 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.78 -43.17 94.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.679 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -65.99 -25.74 67.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.418 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -100.38 -43.9 2.27 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -65.86 74.62 0.07 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.87 0.366 . . . . 0.0 110.09 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.522 -179.422 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mmm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.6 tt -69.58 159.28 5.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 120.777 0.322 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 p -155.42 109.09 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.42 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.09 -153.36 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.052 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.17 -22.68 0.25 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.253 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -68.97 -72.9 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.445 ' N ' ' CD1' ' A' ' 7' ' ' ILE . 1.4 mp -56.04 -38.9 55.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.529 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.19 80.41 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.538 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -60.48 -69.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.613 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 2.0 pt -53.41 -36.3 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.209 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -61.95 -62.02 2.08 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 110.34 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -57.19 -48.06 79.69 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.438 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -56.99 -51.59 68.65 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.142 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.66 -56.12 22.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.35 97.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 51.3 tttm -64.18 -60.84 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.397 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.11 -16.28 7.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.135 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -83.37 -67.49 0.79 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.186 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.52 -1.8 22.97 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . -101.39 -76.34 1.19 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.7 m -161.34 91.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.458 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.4 tp -82.39 129.03 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.135 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 m -135.48 154.83 51.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 25' ' ' GLU . 10.6 pt-20 -45.75 -40.28 9.28 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.345 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.45 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 23.3 mt-10 -59.05 -55.78 30.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.659 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.35 -38.51 91.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -53.13 -44.56 67.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.169 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.32 -50.84 72.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.87 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.89 -67.38 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.852 179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.21 -21.11 1.21 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.139 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -56.24 -46.9 79.39 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.405 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -59.65 -68.43 0.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.539 ' H ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.37 -39.57 46.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.498 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.7 ttp85 -61.55 -46.14 91.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.017 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -58.77 -29.96 67.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.371 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.97 -58.46 6.66 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -51.73 -54.19 31.2 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.6 mt -57.42 -54.67 44.21 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.183 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -63.83 -12.12 33.23 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.092 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.19 -10.82 58.09 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.08 150.51 24.79 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.795 -179.573 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 mtt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.507 ' C ' ' H ' ' A' ' 4' ' ' ASN . 0.7 OUTLIER -144.34 -37.78 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.33 179.433 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.412 ' H ' HD12 ' A' ' 2' ' ' ILE . 7.0 t 59.59 2.05 0.32 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.987 0.422 . . . . 0.0 110.512 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.507 ' H ' ' C ' ' A' ' 2' ' ' ILE . 81.3 m-20 -75.0 137.04 41.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -6.96 5.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.665 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LYS . . . . . 0.404 ' H ' ' C ' ' A' ' 4' ' ' ASN . 58.9 tttm -65.0 -56.04 15.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.12 179.881 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 1.7 mp -57.41 -43.55 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.879 179.623 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.05 -40.22 76.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -61.86 -74.11 0.09 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.587 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.2 mt -46.83 -39.4 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -58.67 -60.95 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.204 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -44.51 97.06 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.808 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 tt -58.31 -48.53 80.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.7 -179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.48 -61.46 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.021 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.15 77.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.196 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.43 -66.71 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.35 -20.59 44.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -85.12 -66.46 0.89 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.14 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.46 -4.59 34.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.575 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.46 -76.55 1.23 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.4 m -164.52 90.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.9 tp -68.03 124.11 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.956 0.408 . . . . 0.0 110.504 -179.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -112.95 148.9 34.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.573 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -50.95 -41.66 59.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.328 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.66 -50.19 74.83 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.389 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -62.68 -37.67 87.34 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.123 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -53.88 -45.58 71.08 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.108 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.12 99.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.259 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.26 -62.86 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.44 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.27 -25.93 4.24 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.431 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -54.82 -55.71 27.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.049 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -60.55 -56.97 14.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.04 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.4 mt -55.0 -48.8 72.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -59.38 -42.26 91.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.837 0.351 . . . . 0.0 110.459 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -61.2 -49.02 78.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.124 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.78 -44.95 84.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.288 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -53.64 -49.21 68.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.668 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -43.98 81.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.087 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -66.81 -35.12 79.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.258 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.56 5.98 66.83 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.02 -9.85 8.31 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.677 0.275 . . . . 0.0 110.937 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.709 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.2 p30 . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.642 0.258 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.52 -10.97 1.09 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.449 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -68.23 -58.75 3.94 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.474 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.8 mp -55.92 -46.28 80.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.125 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.435 ' HA ' HD22 ' A' ' 11' ' ' ASN . . . -59.17 -47.53 84.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.964 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -60.21 -50.22 74.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.5 mt -52.03 -54.41 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.045 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.435 HD22 ' HA ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -59.75 -40.18 87.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.673 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -60.61 -60.06 4.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.722 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.2 tt -58.93 -47.07 86.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.887 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.13 -56.68 17.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.2 84.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -63.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.384 . . . . 0.0 110.056 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.69 -25.91 60.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.232 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -74.13 -57.79 3.73 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.47 -0.96 16.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.32 -76.82 1.25 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 20' ' ' GLY . 11.3 m -156.37 -38.78 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.768 0.318 . . . . 0.0 110.412 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 69.8 132.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.32 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -131.94 151.24 51.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.535 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -49.51 -42.74 44.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.5 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -59.35 -53.13 61.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.545 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 40.8 mt-10 -62.34 -52.36 63.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.259 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -52.56 -39.17 61.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.16 99.36 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.716 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.38 -59.54 5.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 5.2 mt-30 -50.65 -29.5 11.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.827 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -57.13 -60.43 3.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 33' ' ' LEU . 13.1 pttm -59.0 -40.24 84.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.947 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 60.0 mt -57.56 -58.4 8.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -66.34 -41.67 89.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.528 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 120.963 0.411 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.07 -5.72 3.34 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.594 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -65.71 -38.64 89.77 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.7 mm -57.0 -54.46 29.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.447 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . -59.79 -36.27 76.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.464 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -59.09 -50.87 72.42 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.441 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.3 mt -52.5 -59.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -61.73 -38.73 89.0 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.07 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.59 -54.66 43.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.993 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.6 tt -55.83 -45.68 78.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.611 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.51 -56.53 19.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.746 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.8 79.51 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.495 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -60.83 -64.84 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.83 -20.71 52.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.426 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -64.38 -65.42 0.68 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.071 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.56 -2.98 25.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.536 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.94 -75.56 1.3 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.3 t -152.11 -63.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.775 0.321 . . . . 0.0 110.72 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 69.05 146.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.321 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.22 169.96 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.326 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.595 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 9.2 mp0 -48.92 -36.53 17.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.359 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.5 -56.8 17.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.89 -51.65 60.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.617 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -51.5 -42.37 61.64 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.75 96.6 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -57.43 -57.52 12.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.216 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -49.68 -42.89 46.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.825 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -58.1 -41.66 84.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.741 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -59.73 -51.51 69.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.351 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.22 -52.24 65.15 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.073 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -59.71 -42.25 92.64 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.208 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.338 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 120.563 0.22 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.06 -20.63 62.8 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.018 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -68.02 -32.58 73.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.906 0.384 . . . . 0.0 110.168 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mt -57.01 -64.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.562 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.3 -33.17 65.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.144 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -60.1 -75.91 0.05 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.713 0.292 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -52.87 -39.19 30.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -59.17 -61.35 2.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -58.66 -40.62 83.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.714 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 13' ' ' LEU . 4.2 tt -59.46 -47.72 84.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.29 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.15 -43.22 78.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.635 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.3 77.06 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.115 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.2 mmmt -62.13 -63.27 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.716 ' HB1' ' HA ' ' A' ' 22' ' ' ILE . . . -60.76 -21.22 62.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.389 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.72 -69.5 0.22 Allowed 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.51 -8.9 59.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.316 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.579 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -100.61 5.29 56.86 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG23 ' C ' ' A' ' 20' ' ' GLY . 1.5 t 67.05 99.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.869 0.366 . . . . 0.0 110.677 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.716 ' HA ' ' HB1' ' A' ' 17' ' ' ALA . 2.1 tt -58.02 144.65 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.53 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 p -109.73 156.3 20.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -52.24 -49.1 64.68 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.25 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.37 -41.83 94.53 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.432 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -63.75 -46.58 84.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -52.36 -47.44 66.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.51 87.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.26 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -57.27 -59.25 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.281 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -50.52 -35.56 30.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -57.53 -51.23 70.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.951 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -58.76 -51.53 69.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.6 mt -56.21 -40.12 73.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.63 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -70.9 -34.57 71.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.964 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.688 -179.662 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.803 0.335 . . . . 0.0 110.532 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.99 -6.4 3.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.396 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LYS . . . . . 0.526 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -68.13 -60.66 2.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.585 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.442 HD12 ' H ' ' A' ' 7' ' ' ILE . 2.2 mp -55.85 -50.88 65.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.65 76.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 tpp85 -61.67 -68.34 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.551 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.5 mt -52.26 -42.22 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.146 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -58.32 -51.42 69.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.622 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -58.55 -45.41 89.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.224 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 tt -59.95 -50.73 72.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.59 -57.25 11.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.374 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.15 83.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.32 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.07 -59.03 5.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.82 -26.13 57.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.772 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -63.23 -62.74 1.49 Allowed 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 0.17 11.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.468 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -99.55 -76.11 1.22 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 20' ' ' GLY . 3.6 m -156.61 -36.79 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.405 0.145 . . . . 0.0 110.624 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp 41.41 97.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.509 0.671 . . . . 0.0 111.436 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.2 p -108.84 161.59 14.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.744 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -52.61 -41.99 64.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.99 -55.28 32.57 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.631 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.66 -45.91 87.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.372 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -54.16 -44.33 71.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.83 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.725 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -58.41 -68.31 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -50.91 -35.42 33.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -58.88 -38.9 79.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -60.4 -49.68 76.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.489 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 33' ' ' LEU . 81.7 mt -55.41 -45.96 76.67 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -53.35 -55.77 22.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.095 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.817 0.342 . . . . 0.0 110.488 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.3 -27.04 32.55 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.289 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -68.04 -46.15 71.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.885 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.2 mt -55.6 -51.55 57.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.098 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.29 79.84 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -60.17 -74.3 0.08 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.713 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mt -49.54 -41.25 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.857 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -60.73 -58.85 6.7 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.098 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.59 -39.91 81.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.757 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt -60.87 -45.35 94.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.6 -52.04 63.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.294 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -34.21 77.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.366 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' GLY . 26.0 ttmt -61.37 -62.23 1.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.09 -18.02 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.444 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -64.18 -67.76 0.41 Allowed 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.37 -6.33 54.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.649 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.581 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -99.49 -3.71 56.29 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.581 HG23 ' C ' ' A' ' 20' ' ' GLY . 1.5 t 67.41 94.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 121.133 0.492 . . . . 0.0 110.659 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -51.99 135.46 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.463 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 p -112.95 154.27 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.076 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 24.5 mp0 -49.03 -40.8 32.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.36 -50.82 72.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.395 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -63.59 -47.27 82.15 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.662 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -50.62 -45.13 57.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.49 99.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.073 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -58.77 -56.98 15.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.874 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -48.79 -38.25 21.48 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.358 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -55.89 -39.61 71.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.885 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -59.81 -53.97 51.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.715 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.73 -49.88 73.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -58.24 -38.54 77.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.353 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.213 179.726 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.531 0.205 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.72 65.88 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.705 0.288 . . . . 0.0 110.715 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -68.26 -32.48 72.69 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.6 mt -53.87 -62.07 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.078 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.52 -37.27 70.22 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.539 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.427 HH21 HD13 ' A' ' 33' ' ' LEU . 31.2 ttp85 -62.32 -44.92 95.39 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.294 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.7 mt -53.45 -63.44 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.19 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 9.5 p-10 -61.11 -33.36 73.24 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.922 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -60.24 -47.0 87.83 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.742 0.306 . . . . 0.0 110.184 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.681 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.9 tm? -60.05 -46.03 90.89 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.834 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.6 -53.62 44.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.273 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.54 83.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -62.15 2.07 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 22' ' ' ILE . . . -58.51 -22.45 55.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.235 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -71.46 -67.27 0.53 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.68 -6.36 46.32 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.85 -75.67 1.16 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p -177.2 100.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' ALA . 4.1 tt -89.91 138.87 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.778 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.0 p -135.97 165.53 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.923 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -49.23 -35.83 18.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -60.21 -62.13 2.09 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -64.38 -42.47 96.13 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -54.73 -43.49 72.69 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.779 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.91 92.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.86 0.362 . . . . 0.0 110.268 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -64.67 0.84 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.123 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -49.02 -38.7 24.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.67 -47.49 84.31 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -60.45 -58.5 8.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.041 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD13 HH21 ' A' ' 9' ' ' ARG . 82.2 mt -55.79 -37.99 69.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.774 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -58.7 -41.78 87.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.41 179.883 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.874 0.369 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.98 -29.22 59.93 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.158 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -68.09 -58.62 4.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.69 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.0 mm -56.32 -53.29 41.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.604 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.13 -34.4 68.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.13 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.95 -51.43 61.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.294 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.75 -66.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.967 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 17.5 p-10 -58.02 -46.06 85.9 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -178.731 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.19 -62.02 2.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.688 0.28 . . . . 0.0 111.094 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -58.61 -45.76 88.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HA ' HE22 ' A' ' 30' ' ' GLN . . . -55.3 -61.69 2.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.295 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.29 80.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.342 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -62.51 -65.78 0.64 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.887 0.375 . . . . 0.0 110.303 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.518 ' HB1' HG13 ' A' ' 22' ' ' ILE . . . -57.81 -20.64 37.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.412 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -79.18 -52.68 7.84 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.359 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.22 -2.66 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.025 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -98.81 -76.89 1.29 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 20' ' ' GLY . 8.0 m -159.67 -45.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.535 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.518 HG13 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER 67.99 122.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.061 -179.073 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -123.78 170.36 10.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.284 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -50.72 -43.22 57.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 4.8 mp0 -59.51 -50.67 73.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.591 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.67 -52.19 58.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.412 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -53.95 -42.67 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.62 96.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.31 -61.2 2.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.422 HE22 ' HA ' ' A' ' 14' ' ' ALA . 8.8 mt-30 -48.86 -36.98 18.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.312 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -56.13 -45.07 79.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.2 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -58.82 -60.47 3.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.001 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.26 -56.02 27.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.317 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -49.98 -41.9 47.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 -179.81 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.9 t30 . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.45 -18.24 49.99 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -68.8 -47.22 66.66 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.926 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.413 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 33.0 mt -55.66 -54.28 27.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.084 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.0 -34.82 66.15 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.735 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -63.71 -46.47 85.27 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.125 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.0 mt -51.52 -64.37 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.046 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 5.8 p-10 -60.31 -38.23 83.04 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.792 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.31 -52.99 62.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.393 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 tt -59.33 -41.48 89.22 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.394 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.02 -52.56 62.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.091 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.7 92.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.26 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -61.11 -61.33 2.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.683 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -58.07 -20.2 37.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.125 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -60.6 -66.39 0.54 Allowed 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.61 -7.18 55.99 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.462 177.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.637 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -100.4 5.16 57.14 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.637 HG23 ' C ' ' A' ' 20' ' ' GLY . 1.9 t 74.61 -65.07 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 C-N-CA 122.621 0.368 . . . . 0.0 110.57 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 21' ' ' VAL . 3.7 tp 129.34 138.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 124.676 1.235 . . . . 0.0 109.532 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.5 p -107.35 152.04 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.173 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 6.2 mp0 -50.62 -46.26 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.377 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.54 -48.53 81.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.809 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -63.91 -50.07 70.17 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.041 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -50.26 -48.87 54.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.756 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.44 86.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.342 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.59 -57.66 11.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.373 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -48.47 -33.54 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.716 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -55.58 -55.26 34.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.7 0.286 . . . . 0.0 110.954 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -61.08 -54.8 40.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -54.67 -37.15 65.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.299 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -70.46 -60.11 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.205 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? . . . . . 0 CA--C 1.531 0.214 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.032 -179.418 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ALA . 8.9 p30 . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 120.464 0.174 . . . . 0.0 111.22 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' ASN . . . -30.77 -57.43 0.21 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -69.28 -66.34 0.59 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.9 mp -52.84 -49.84 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.435 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.82 -40.39 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.664 0.268 . . . . 0.0 111.018 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -61.13 -73.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.4 mt -47.53 -34.7 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -59.01 -70.08 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.565 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.22 -35.06 76.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.053 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 13' ' ' LEU . 5.5 tt -58.71 -65.64 0.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.79 73.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.24 83.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.46 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -60.28 -64.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.841 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' HB1' ' HA ' ' A' ' 22' ' ' ILE . . . -59.61 -21.51 60.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.542 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -60.51 -68.74 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.33 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.886 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.616 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -100.02 6.56 58.4 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.616 HG23 ' C ' ' A' ' 20' ' ' GLY . 2.0 t 74.39 99.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.008 0.432 . . . . 0.0 110.351 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.501 ' HA ' ' HB1' ' A' ' 17' ' ' ALA . 16.2 tt -81.88 142.42 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.594 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -115.6 160.16 20.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.655 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 4.5 mp0 -52.47 -33.54 45.06 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.17 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.22 -47.27 85.95 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.812 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.65 -42.04 98.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -53.5 -43.48 68.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.461 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.95 91.9 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.612 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -57.34 -63.48 1.21 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.75 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -50.03 -30.33 10.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.435 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.55 -37.88 76.62 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.796 0.331 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -59.46 -62.03 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.943 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.95 -41.81 71.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.683 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -61.21 -43.66 98.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.701 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.692 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.98 -28.64 67.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.81 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -66.01 -58.38 5.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.992 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.7 mp -57.26 -42.75 80.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.04 61.56 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.075 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -67.1 -58.37 5.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -54.18 -61.73 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.649 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -55.46 -39.89 70.92 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.137 -178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.71 -50.36 72.74 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -61.13 -45.33 95.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.169 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.23 -47.15 75.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.347 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.38 84.3 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.553 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' GLY . 62.0 mttt -62.55 -62.65 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.124 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.57 -18.07 50.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.514 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -72.29 -69.15 0.42 Allowed 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.811 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.73 -6.05 52.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.657 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . -100.98 -29.88 6.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 t 49.32 76.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.056 0.455 . . . . 0.0 110.199 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.6 pt -87.85 -130.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.716 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 25' ' ' GLU . 32.1 m -107.68 141.35 39.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.655 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.22 -28.09 25.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.565 ' H ' HG22 ' A' ' 23' ' ' THR . 20.4 tp10 -57.07 -50.59 72.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.193 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.02 -47.67 76.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.333 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.68 ' HA ' HE21 ' A' ' 30' ' ' GLN . 82.0 mttt -55.21 -42.67 73.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.572 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.1 88.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -59.42 -70.37 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.438 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.68 HE21 ' HA ' ' A' ' 27' ' ' LYS . 19.9 pt20 -52.93 -31.54 40.72 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.472 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -56.68 -37.45 70.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.053 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -58.37 -57.88 10.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.883 0.373 . . . . 0.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.51 -33.59 68.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.857 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -66.45 -50.32 63.74 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.43 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.455 179.698 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.689 0.28 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.66 -13.58 10.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -67.53 -42.77 82.21 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.745 0.307 . . . . 0.0 110.241 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 mm -56.68 -46.39 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.596 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . -58.88 -37.92 77.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.252 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -58.55 -48.51 80.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.228 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.09 -61.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.421 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.596 ' ND2' ' HA ' ' A' ' 8' ' ' ALA . 1.5 p30 -62.48 -38.11 88.57 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.294 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.33 -59.07 5.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.736 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -36.12 72.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.553 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.24 -63.66 1.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.452 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.87 -33.69 75.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.756 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -60.45 -58.5 8.21 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -21.61 61.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.063 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -78.62 -69.55 0.56 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.143 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.53 -4.93 39.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.131 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.58 -68.16 0.84 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 p -172.75 99.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 110.111 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 tp -91.06 146.16 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -173.44 163.95 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.345 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -47.5 -33.29 6.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -59.12 -66.7 0.46 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.616 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.12 -44.37 92.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.609 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -53.01 -45.53 67.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.72 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.93 97.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -56.21 -59.22 5.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.26 -41.22 60.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -57.6 -38.99 75.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -59.74 -62.18 2.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mt -55.93 -39.82 72.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.029 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -61.76 -41.25 97.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.977 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 . . . . . 0 C--N 1.331 -0.196 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.203 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' HD22 ' A' ' 4' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ALA . . . . . 0.425 ' H ' ' CG ' ' A' ' 4' ' ' ASN . . . -69.44 -20.39 63.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.426 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -66.61 -38.31 86.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.6 mt -57.22 -47.06 84.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.834 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.24 -42.54 81.68 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.289 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -59.97 -63.58 1.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.026 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -51.32 -51.59 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.753 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -59.96 -58.17 9.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.466 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.27 -51.81 68.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.232 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.3 tt -58.12 -52.52 65.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.664 0.268 . . . . 0.0 110.629 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.46 -58.96 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.33 74.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -62.6 -67.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.133 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.15 60.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.36 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -78.53 -35.99 45.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.62 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.02 -23.1 58.13 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.338 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.7 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.5 -76.96 1.25 Allowed Glycine 0 CA--C 1.525 0.703 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.393 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 20' ' ' GLY . 1.8 m -165.13 87.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 tt -69.58 165.42 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.076 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.97 164.88 18.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.543 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -49.86 -31.18 11.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.12 -61.49 2.52 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.15 -44.92 95.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.858 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -39.11 70.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.35 86.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -57.7 -65.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.397 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.74 -20.53 2.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.763 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -53.23 -42.7 66.67 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.657 0.265 . . . . 0.0 110.998 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -59.93 -64.23 1.02 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.06 -41.16 74.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.733 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -64.45 -39.16 93.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.017 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.095 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 p30 . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.745 0.307 . . . . 0.0 110.746 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.95 -12.3 0.8 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.329 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -66.87 -56.25 11.14 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mm -57.1 -49.46 79.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.378 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.58 -38.39 69.31 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -61.14 -75.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.8 mt -52.11 -37.22 21.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.312 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -58.0 -64.09 1.03 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.507 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.82 -30.62 69.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.941 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 13' ' ' LEU . 2.7 tt -60.34 -61.21 2.76 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.652 0.263 . . . . 0.0 110.438 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.92 69.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.752 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.48 98.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.331 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -62.9 -59.58 4.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.965 0.412 . . . . 0.0 110.186 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.71 -23.08 49.89 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.272 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -81.49 -45.19 16.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.26 -15.25 60.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.766 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.836 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.87 -77.11 1.25 Allowed Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.326 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.836 HG13 ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -175.04 88.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.5 tt -68.84 160.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.41 153.24 40.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -50.72 -32.68 20.22 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.105 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.29 -55.33 34.97 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.458 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 3.2 mp0 -62.71 -40.49 97.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.534 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -53.14 -44.82 68.04 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.384 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.62 98.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.448 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -56.87 -55.8 29.74 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 10.6 mt-30 -51.09 -43.73 61.11 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.708 0.289 . . . . 0.0 110.662 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -59.53 -40.99 88.98 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.47 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -61.02 -54.15 48.38 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -54.75 -49.24 71.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.637 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.2 -44.73 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.539 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.588 -179.908 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.581 0.229 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.45 56.09 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.167 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -68.9 -45.2 71.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.967 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mm -56.41 -56.71 12.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.283 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.93 -36.07 67.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.029 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -60.98 -76.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.789 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.9 -34.44 20.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.034 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -58.48 -58.68 7.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.656 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.45 -47.09 86.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.29 -51.9 67.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.33 67.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -61.71 -40.01 93.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.69 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -63.37 -55.07 27.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.155 0.502 . . . . 0.0 109.777 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.19 -27.38 61.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.421 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -84.43 -29.78 25.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.24 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -74.61 -75.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.379 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.45 ' C ' HG12 ' A' ' 21' ' ' VAL . . . -101.23 -77.13 1.24 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 ' C ' ' A' ' 20' ' ' GLY . 2.1 p 162.2 97.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.52 -170.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.783 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 m -95.42 147.05 23.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -51.82 -42.21 62.35 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.515 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -58.18 -50.96 71.71 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.18 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -61.76 -41.89 98.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.65 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -56.39 -39.31 72.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.774 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.1 91.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.692 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.29 -50.55 72.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.011 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -50.92 -38.86 52.64 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.789 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -56.63 -41.11 76.57 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.448 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -59.74 -55.64 31.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.58 -52.82 63.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.713 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.67 -49.45 62.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 -179.854 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.513 0.196 . . . . 0.0 110.609 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.51 -18.86 3.1 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.352 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -67.4 -42.22 83.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.805 0.336 . . . . 0.0 110.49 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.7 mm -55.33 -51.03 60.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.35 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.86 76.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -61.69 -53.98 48.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.916 0.389 . . . . 0.0 110.661 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -55.14 -60.85 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.738 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -29.96 66.38 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.4 -66.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.567 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pp -61.09 -26.25 67.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.06 -70.94 0.1 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.302 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.98 82.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.596 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -61.66 -61.54 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.77 -18.24 30.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.159 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -67.62 0.47 Allowed 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.013 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.42 -5.15 46.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.611 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.37 -75.49 1.17 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 p -172.56 100.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 22' ' ' ILE . 7.0 tp -85.46 118.38 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 m -107.42 144.91 33.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.255 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -48.84 -30.7 6.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -59.86 -65.49 0.67 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.36 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -65.73 -40.07 91.8 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.227 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -53.76 -42.69 68.49 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.16 93.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.863 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.75 -69.53 0.17 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.715 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -40.38 36.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -57.11 -43.44 82.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.876 0.37 . . . . 0.0 110.244 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -60.48 -63.06 1.43 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.267 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.41 -39.66 70.47 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -57.36 -49.81 74.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.554 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.576 ' N ' HD22 ' A' ' 4' ' ' ASN . 1.1 m120 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 -30.5 48.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.83 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -69.23 -57.23 5.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.541 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.4 mt -54.56 -46.78 72.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.174 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.47 -43.97 72.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.262 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -62.13 -47.45 84.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.388 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.2 mt -56.59 -62.7 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.989 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -59.3 -28.97 67.26 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.614 -178.779 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.448 ' N ' HD22 ' A' ' 11' ' ' ASN . 88.0 tt0 -60.02 -49.06 79.14 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.1 -52.32 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.444 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.53 -36.16 71.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.76 89.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -61.5 -51.94 66.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.55 -17.21 19.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.756 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -88.83 -48.31 7.57 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.237 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.33 44.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.923 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.5 -76.93 1.13 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.582 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.6 p 176.97 -44.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 121.342 -0.143 . . . . 0.0 110.712 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 21' ' ' VAL . 12.2 tt 118.86 165.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 124.462 1.101 . . . . 0.0 110.185 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.5 p -141.36 153.29 45.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.051 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -49.09 -41.84 36.96 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.477 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -61.07 -49.5 77.1 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.722 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.74 -39.46 94.19 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -52.04 -50.63 61.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.82 91.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -57.31 -54.57 45.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.973 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.75 -50.61 24.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -59.38 -37.69 78.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.682 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -59.19 -58.09 10.17 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.5 mt -56.51 -37.51 70.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.704 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -66.03 -39.36 90.11 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.685 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.908 179.655 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ASN . . . . . 0.524 ' N ' HD22 ' A' ' 4' ' ' ASN . 1.6 m120 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.847 0.356 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.78 -34.42 58.0 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.934 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -67.49 -52.86 34.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.113 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.565 HD12 ' H ' ' A' ' 7' ' ' ILE . 2.7 mp -56.15 -52.63 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.303 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.5 -45.01 73.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.345 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -60.47 -75.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.765 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.9 mt -49.45 -38.94 13.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.236 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 30.1 t30 -59.95 -54.08 50.34 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.662 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.34 -52.41 65.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.74 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.3 tt -60.0 -54.44 46.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.751 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.47 -57.08 11.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.7 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -61.32 -62.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.78 -18.93 24.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.214 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -75.74 -63.43 1.3 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.328 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.83 -6.72 48.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.476 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.52 -70.64 0.92 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 p -174.12 100.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.933 0.397 . . . . 0.0 110.146 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -92.32 136.24 25.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 p -139.18 161.29 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.977 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -50.7 -35.42 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.438 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -59.75 -47.47 85.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.744 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -61.73 -53.8 51.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.447 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -52.8 -37.67 60.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.63 76.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.291 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -57.48 -57.24 13.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.65 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -50.62 -45.25 57.5 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -57.63 -37.73 73.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.687 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.93 -50.98 71.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.296 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.2 -62.04 1.99 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 34' ' ' ARG . 35.5 mtt85 -46.47 -52.13 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.16 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.676 179.829 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 . . . . . 0 C--O 1.232 0.172 0 N-CA-C 110.616 -0.142 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.43 -26.06 3.01 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.124 0.487 . . . . 0.0 110.239 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -69.61 -49.56 52.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.339 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.7 mt -54.07 -48.87 64.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.077 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.56 -39.0 72.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.344 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -62.34 -75.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.507 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.9 mt -46.55 -42.27 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.716 0.293 . . . . 0.0 110.684 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -59.44 -66.62 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.537 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.36 -41.73 94.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.244 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.8 tt -57.55 -56.7 18.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.91 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.466 ' HA ' HE22 ' A' ' 30' ' ' GLN . . . -52.19 -52.58 51.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.08 98.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.322 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -64.34 -62.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -20.26 16.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.262 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -75.25 -68.39 0.56 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.95 -4.0 35.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.65 -75.89 1.15 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p 176.74 100.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.65 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 tt -94.83 137.29 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.342 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.3 p -115.75 171.67 7.61 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.705 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -50.77 -44.83 58.81 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.78 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.16 -54.69 44.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.642 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.71 -53.07 60.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.978 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -53.08 -48.69 67.55 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.01 81.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.662 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.3 -63.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.466 HE22 ' HA ' ' A' ' 14' ' ' ALA . 8.2 mt-30 -49.5 -26.99 3.82 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.076 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -55.35 -54.48 43.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -59.76 -60.99 2.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.407 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.0 mt -53.52 -64.43 0.82 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.076 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -47.42 -42.26 21.82 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.181 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.411 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.17 -22.68 0.25 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.253 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -68.97 -72.9 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.4 mp -56.04 -38.9 55.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.529 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.19 80.41 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.538 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -60.48 -69.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.613 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.414 ' H ' HG23 ' A' ' 10' ' ' ILE . 2.0 pt -53.41 -36.3 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.209 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -61.95 -62.02 2.08 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 110.34 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -57.19 -48.06 79.69 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.438 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -56.99 -51.59 68.65 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.142 179.755 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.66 -56.12 22.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.35 97.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 51.3 tttm -64.18 -60.84 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.397 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.11 -16.28 7.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.135 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -83.37 -67.49 0.79 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.186 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.52 -1.8 22.97 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.611 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -101.39 -76.34 1.19 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 20' ' ' GLY . 2.7 m -161.34 91.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.458 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 22' ' ' ILE . 3.4 tp -82.39 129.03 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.135 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 m -135.48 154.83 51.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 25' ' ' GLU . 10.6 pt-20 -45.75 -40.28 9.28 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.345 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.45 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 23.3 mt-10 -59.05 -55.78 30.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.659 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.35 -38.51 91.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -53.13 -44.56 67.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.169 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.32 -50.84 72.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.87 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.515 ' OE2' HD21 ' A' ' 33' ' ' LEU . 2.5 tm-20 -57.89 -67.38 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.852 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.21 -21.11 1.21 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.139 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -56.24 -46.9 79.39 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.405 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -59.65 -68.43 0.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.613 ' H ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.37 -39.57 46.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.498 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.7 ttp85 -61.55 -46.14 91.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.017 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.371 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.841 0.353 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -6.96 5.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.665 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -65.0 -56.04 15.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.12 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.7 mp -57.41 -43.55 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.879 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.05 -40.22 76.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -61.86 -74.11 0.09 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.587 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.2 mt -46.83 -39.4 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -58.67 -60.95 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.204 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -44.51 97.06 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.808 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt -58.31 -48.53 80.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.7 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.48 -61.46 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.021 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.15 77.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.196 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.43 -66.71 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.35 -20.59 44.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -85.12 -66.46 0.89 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.14 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.46 -4.59 34.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.575 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.68 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.46 -76.55 1.23 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 20' ' ' GLY . 1.4 m -164.52 90.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 22' ' ' ILE . 3.9 tp -68.03 124.11 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.956 0.408 . . . . 0.0 110.504 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -112.95 148.9 34.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.573 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -50.95 -41.66 59.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.328 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.66 -50.19 74.83 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.389 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -62.68 -37.67 87.34 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.123 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -53.88 -45.58 71.08 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.108 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.12 99.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.259 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.26 -62.86 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.44 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -50.27 -25.93 4.24 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.431 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -54.82 -55.71 27.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.049 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -60.55 -56.97 14.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.04 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.4 mt -55.0 -48.8 72.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -59.38 -42.26 91.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.837 0.351 . . . . 0.0 110.459 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--O 1.233 0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.124 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptp . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.461 HG23 ' ND2' ' A' ' 4' ' ' ASN . 50.4 mm -73.42 149.62 8.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.588 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.404 ' HA ' HD13 ' A' ' 7' ' ' ILE . 94.1 p -170.27 19.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.656 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.461 ' ND2' HG23 ' A' ' 2' ' ' ILE . 7.2 p30 -77.92 -156.7 0.09 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.52 -10.97 1.09 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.449 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 19.7 ttmt -68.23 -58.75 3.94 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.474 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.8 mp -55.92 -46.28 80.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.125 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' HA ' HD22 ' A' ' 11' ' ' ASN . . . -59.17 -47.53 84.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.964 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -60.21 -50.22 74.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.5 mt -52.03 -54.41 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.045 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.435 HD22 ' HA ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -59.75 -40.18 87.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.673 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -60.61 -60.06 4.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.722 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.2 tt -58.93 -47.07 86.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.887 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.13 -56.68 17.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.2 84.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -63.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.384 . . . . 0.0 110.056 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.69 -25.91 60.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.232 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -74.13 -57.79 3.73 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.47 -0.96 16.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.32 -76.82 1.25 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 20' ' ' GLY . 11.3 m -156.37 -38.78 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.768 0.318 . . . . 0.0 110.412 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 69.8 132.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.32 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -131.94 151.24 51.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.535 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -49.51 -42.74 44.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.5 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -59.35 -53.13 61.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.545 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 40.8 mt-10 -62.34 -52.36 63.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.259 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -52.56 -39.17 61.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.16 99.36 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.716 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.38 -59.54 5.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 5.2 mt-30 -50.65 -29.5 11.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.827 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -57.13 -60.43 3.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 33' ' ' LEU . 13.1 pttm -59.0 -40.24 84.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.947 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 60.0 mt -57.56 -58.4 8.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -66.34 -41.67 89.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -60.81 -39.27 88.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.528 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -64.72 -54.22 34.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.243 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -53.67 -45.99 70.48 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.532 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.0 -37.68 77.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.691 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -65.68 -31.12 71.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.527 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -100.33 -29.04 6.88 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.502 ' C ' ' O ' ' A' ' 40' ' ' GLY . 40.7 t80 19.89 -106.85 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 122.789 0.436 . . . . 0.0 111.783 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.778 0.323 . . . . 0.0 110.472 179.802 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.8 mt -108.71 -70.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.45 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.451 ' HA ' HD11 ' A' ' 7' ' ' ILE . 35.0 p 44.74 -113.97 0.38 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.796 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 p30 43.12 -159.56 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.963 0.411 . . . . 0.0 112.074 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.07 -5.72 3.34 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.594 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -65.71 -38.64 89.77 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 3' ' ' SER . 24.7 mm -57.0 -54.46 29.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . -59.79 -36.27 76.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.464 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -59.09 -50.87 72.42 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.441 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.3 mt -52.5 -59.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -61.73 -38.73 89.0 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.07 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.59 -54.66 43.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.993 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.6 tt -55.83 -45.68 78.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.611 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.51 -56.53 19.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.746 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.8 79.51 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.495 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -60.83 -64.84 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.83 -20.71 52.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.426 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -64.38 -65.42 0.68 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.071 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.56 -2.98 25.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.536 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.94 -75.56 1.3 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.3 t -152.11 -63.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.775 0.321 . . . . 0.0 110.72 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 69.05 146.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.321 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.22 169.96 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.326 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.595 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 9.2 mp0 -48.92 -36.53 17.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.359 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.5 -56.8 17.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.89 -51.65 60.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.617 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -51.5 -42.37 61.64 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.75 96.6 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -57.43 -57.52 12.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.216 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -49.68 -42.89 46.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.825 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -58.1 -41.66 84.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.741 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -59.73 -51.51 69.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.351 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.22 -52.24 65.15 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.073 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.553 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 14.7 ttm180 -59.71 -42.25 92.64 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.208 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -58.7 -29.31 66.56 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.28 -63.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.116 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -56.5 -51.17 69.49 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.062 0.458 . . . . 0.0 110.732 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.93 -65.07 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.435 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -65.26 -12.72 54.46 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.778 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.93 -4.72 88.43 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.16 133.55 55.38 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.607 0.241 . . . . 0.0 110.644 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 . . . . . 0 C--O 1.232 0.173 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.798 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.698 HG21 ' HB3' ' A' ' 5' ' ' ALA . 11.9 tt -71.84 158.33 6.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.509 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -105.64 30.14 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.246 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.444 ' H ' HG23 ' A' ' 2' ' ' ILE . 8.8 t-20 -142.45 -68.42 0.36 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.551 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.698 ' HB3' HG21 ' A' ' 2' ' ' ILE . . . -61.06 -20.63 62.8 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.018 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -68.02 -32.58 73.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.906 0.384 . . . . 0.0 110.168 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mt -57.01 -64.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.562 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.3 -33.17 65.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.144 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -60.1 -75.91 0.05 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.713 0.292 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -52.87 -39.19 30.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -59.17 -61.35 2.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -58.66 -40.62 83.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.714 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 13' ' ' LEU . 4.2 tt -59.46 -47.72 84.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.29 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.15 -43.22 78.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.635 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.3 77.06 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.115 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.2 mmmt -62.13 -63.27 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.716 ' HB1' ' HA ' ' A' ' 22' ' ' ILE . . . -60.76 -21.22 62.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.389 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.72 -69.5 0.22 Allowed 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.51 -8.9 59.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.316 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.579 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -100.61 5.29 56.86 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG23 ' C ' ' A' ' 20' ' ' GLY . 1.5 t 67.05 99.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.869 0.366 . . . . 0.0 110.677 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.716 ' HA ' ' HB1' ' A' ' 17' ' ' ALA . 2.1 tt -58.02 144.65 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.53 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 p -109.73 156.3 20.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -52.24 -49.1 64.68 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.25 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.37 -41.83 94.53 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.432 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -63.75 -46.58 84.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -52.36 -47.44 66.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.51 87.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.26 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -57.27 -59.25 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.281 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -50.52 -35.56 30.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.965 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -57.53 -51.23 70.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.951 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -58.76 -51.53 69.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.6 mt -56.21 -40.12 73.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.63 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -70.9 -34.57 71.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.964 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -59.86 -49.69 76.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.688 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.51 -43.61 93.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.333 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -54.28 -50.2 67.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.748 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.81 -43.23 85.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.579 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -65.21 -30.08 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.546 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.85 0.71 82.68 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -66.42 -77.02 0.07 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.488 0.185 . . . . 0.0 111.054 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 CA--C 1.533 0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.388 -179.286 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mtt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 tt -133.44 -17.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.244 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m 73.4 -45.13 0.6 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.339 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -62.41 109.05 1.23 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.99 -6.4 3.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.396 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.526 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -68.13 -60.66 2.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.585 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.442 HD12 ' H ' ' A' ' 7' ' ' ILE . 2.2 mp -55.85 -50.88 65.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.65 76.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 tpp85 -61.67 -68.34 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.551 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.5 mt -52.26 -42.22 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.146 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -58.32 -51.42 69.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.622 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -58.55 -45.41 89.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.224 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 tt -59.95 -50.73 72.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.59 -57.25 11.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.374 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.15 83.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.32 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.07 -59.03 5.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.82 -26.13 57.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.772 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -63.23 -62.74 1.49 Allowed 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 0.17 11.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.468 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -99.55 -76.11 1.22 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 20' ' ' GLY . 3.6 m -156.61 -36.79 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.405 0.145 . . . . 0.0 110.624 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp 41.41 97.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.509 0.671 . . . . 0.0 111.436 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.2 p -108.84 161.59 14.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.744 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -52.61 -41.99 64.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.99 -55.28 32.57 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.631 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.66 -45.91 87.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.372 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -54.16 -44.33 71.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.83 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.725 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -58.41 -68.31 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -50.91 -35.42 33.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -58.88 -38.9 79.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -60.4 -49.68 76.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.489 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 33' ' ' LEU . 81.7 mt -55.41 -45.96 76.67 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -53.35 -55.77 22.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -63.59 -38.03 89.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.095 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.21 -44.8 90.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.033 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -53.47 -33.58 54.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.59 -50.81 72.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.582 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -65.19 -35.41 80.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.974 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.34 5.49 67.63 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -172.63 93.87 0.12 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.744 0.307 . . . . 0.0 110.328 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 . . . . . 0 C--N 1.332 -0.159 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 -179.732 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 mmt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.0 mm -76.05 148.85 6.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.32 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 5' ' ' ALA . 41.4 m -156.8 14.51 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.359 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.1 m-20 66.37 0.09 1.64 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.488 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 3' ' ' SER . . . -82.3 -27.04 32.55 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.289 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -68.04 -46.15 71.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.885 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.2 mt -55.6 -51.55 57.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.098 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.29 79.84 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -60.17 -74.3 0.08 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.713 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mt -49.54 -41.25 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.857 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -60.73 -58.85 6.7 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.098 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.59 -39.91 81.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.757 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt -60.87 -45.35 94.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.6 -52.04 63.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.294 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -34.21 77.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.366 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' GLY . 26.0 ttmt -61.37 -62.23 1.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.09 -18.02 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.444 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -64.18 -67.76 0.41 Allowed 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.37 -6.33 54.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.649 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.581 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -99.49 -3.71 56.29 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.581 HG23 ' C ' ' A' ' 20' ' ' GLY . 1.5 t 67.41 94.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 121.133 0.492 . . . . 0.0 110.659 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -51.99 135.46 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.463 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 p -112.95 154.27 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.076 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 24.5 mp0 -49.03 -40.8 32.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.36 -50.82 72.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.395 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -63.59 -47.27 82.15 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.662 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -50.62 -45.13 57.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.49 99.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.073 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -58.77 -56.98 15.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.874 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -48.79 -38.25 21.48 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.358 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -55.89 -39.61 71.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.885 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -59.81 -53.97 51.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.715 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.73 -49.88 73.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -58.24 -38.54 77.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.353 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -60.96 -41.26 95.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.213 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -66.52 -41.39 88.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.501 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -52.01 -55.13 22.42 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.7 mm? -59.91 -42.58 94.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.283 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -65.46 -16.09 63.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.388 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.91 -17.98 42.01 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.85 127.23 30.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.592 0.234 . . . . 0.0 110.397 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.698 -179.789 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpt . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 2' ' ' ILE . 0.3 OUTLIER -121.55 -44.56 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.327 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 2' ' ' ILE . 1.7 m 59.77 -138.36 0.69 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.037 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 5.9 m120 57.06 -104.42 0.22 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.72 65.88 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.705 0.288 . . . . 0.0 110.715 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -68.26 -32.48 72.69 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.6 mt -53.87 -62.07 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.078 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.52 -37.27 70.22 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.539 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.427 HH21 HD13 ' A' ' 33' ' ' LEU . 31.2 ttp85 -62.32 -44.92 95.39 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.294 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.7 mt -53.45 -63.44 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.19 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 9.5 p-10 -61.11 -33.36 73.24 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.922 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -60.24 -47.0 87.83 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.742 0.306 . . . . 0.0 110.184 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.9 tm? -60.05 -46.03 90.89 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.834 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.6 -53.62 44.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.273 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.54 83.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -62.15 2.07 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 22' ' ' ILE . . . -58.51 -22.45 55.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.235 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -71.46 -67.27 0.53 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.68 -6.36 46.32 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.85 -75.67 1.16 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p -177.2 100.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' ALA . 4.1 tt -89.91 138.87 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.778 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.0 p -135.97 165.53 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.923 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -49.23 -35.83 18.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -60.21 -62.13 2.09 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -64.38 -42.47 96.13 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -54.73 -43.49 72.69 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.779 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.91 92.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.86 0.362 . . . . 0.0 110.268 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -64.67 0.84 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.123 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -49.02 -38.7 24.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.67 -47.49 84.31 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -60.45 -58.5 8.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.041 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD13 HH21 ' A' ' 9' ' ' ARG . 82.2 mt -55.79 -37.99 69.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.774 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -58.7 -41.78 87.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -62.39 -40.14 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.41 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -65.63 -43.45 89.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.595 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.38 -38.51 59.06 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.213 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.34 -61.02 2.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.746 0.308 . . . . 0.0 110.42 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -66.05 -13.66 60.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.617 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.22 -15.18 56.29 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.2 -87.7 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.501 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 . . . . . 0 C--O 1.231 0.13 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.227 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 mm -117.05 -63.15 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.407 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p 47.02 89.1 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.352 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.9 p-10 -165.78 -155.26 0.22 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.98 -29.22 59.93 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.158 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 35.1 tttt -68.09 -58.62 4.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.69 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.0 mm -56.32 -53.29 41.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.604 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.13 -34.4 68.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.13 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.95 -51.43 61.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.294 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.75 -66.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.967 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 17.5 p-10 -58.02 -46.06 85.9 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -178.731 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.19 -62.02 2.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.688 0.28 . . . . 0.0 111.094 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -58.61 -45.76 88.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.422 ' HA ' HE22 ' A' ' 30' ' ' GLN . . . -55.3 -61.69 2.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.295 -179.593 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.29 80.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.342 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -62.51 -65.78 0.64 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.887 0.375 . . . . 0.0 110.303 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.518 ' HB1' HG13 ' A' ' 22' ' ' ILE . . . -57.81 -20.64 37.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.412 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -79.18 -52.68 7.84 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.359 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.22 -2.66 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.025 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -98.81 -76.89 1.29 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 20' ' ' GLY . 8.0 m -159.67 -45.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.535 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.518 HG13 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER 67.99 122.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.061 -179.073 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -123.78 170.36 10.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.284 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -50.72 -43.22 57.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 4.8 mp0 -59.51 -50.67 73.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.591 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.67 -52.19 58.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.412 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -53.95 -42.67 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.62 96.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.31 -61.2 2.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.422 HE22 ' HA ' ' A' ' 14' ' ' ALA . 8.8 mt-30 -48.86 -36.98 18.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.312 -179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -56.13 -45.07 79.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.2 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -58.82 -60.47 3.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.001 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.26 -56.02 27.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.317 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -49.98 -41.9 47.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -61.29 -42.53 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.6 -38.01 88.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.669 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -52.73 -36.25 57.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.45 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.79 -36.18 76.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.426 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 tttp -66.65 -47.61 71.98 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.318 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.14 -0.66 57.54 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.04 138.74 58.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.616 0.245 . . . . 0.0 110.552 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 179.793 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.762 HG23 ' H ' ' A' ' 4' ' ' ASN . 14.7 tt -162.02 -13.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.401 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 70.54 20.16 5.95 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.323 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.762 ' H ' HG23 ' A' ' 2' ' ' ILE . 3.9 t30 -153.04 -79.01 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.323 -179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.598 ' HB3' HG21 ' A' ' 2' ' ' ILE . . . -60.45 -18.24 49.99 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -68.8 -47.22 66.66 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.926 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.413 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 33.0 mt -55.66 -54.28 27.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.084 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.0 -34.82 66.15 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.735 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -63.71 -46.47 85.27 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.125 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.0 mt -51.52 -64.37 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.046 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 5.8 p-10 -60.31 -38.23 83.04 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.792 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.31 -52.99 62.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.393 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 tt -59.33 -41.48 89.22 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.394 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.02 -52.56 62.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.091 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.7 92.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.26 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -61.11 -61.33 2.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.683 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -58.07 -20.2 37.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.125 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -60.6 -66.39 0.54 Allowed 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.61 -7.18 55.99 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.462 177.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.637 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -100.4 5.16 57.14 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.637 HG23 ' C ' ' A' ' 20' ' ' GLY . 1.9 t 74.61 -65.07 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 C-N-CA 122.621 0.368 . . . . 0.0 110.57 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 21' ' ' VAL . 3.7 tp 129.34 138.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 124.676 1.235 . . . . 0.0 109.532 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.5 p -107.35 152.04 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.173 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 6.2 mp0 -50.62 -46.26 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.377 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.54 -48.53 81.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.809 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -63.91 -50.07 70.17 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.041 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -50.26 -48.87 54.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.756 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.44 86.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.342 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.59 -57.66 11.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.373 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -48.47 -33.54 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.716 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -55.58 -55.26 34.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.7 0.286 . . . . 0.0 110.954 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -61.08 -54.8 40.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -54.67 -37.15 65.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.299 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -70.46 -60.11 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.205 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -61.75 -29.88 70.41 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.032 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -65.76 -47.06 76.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.426 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -50.8 -38.9 51.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.799 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.9 mt -56.8 -60.31 3.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.144 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 5.9 mptt -66.36 -14.92 62.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.341 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.43 -9.1 63.52 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -62.11 119.38 8.83 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.74 0.305 . . . . 0.0 110.426 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.458 -179.881 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.5 mt -78.25 139.64 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.623 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 t -173.19 65.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.348 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 5' ' ' ALA . 8.9 p30 -171.85 -113.8 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.22 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' ASN . . . -30.77 -57.43 0.21 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -69.28 -66.34 0.59 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.9 mp -52.84 -49.84 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.435 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.82 -40.39 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.664 0.268 . . . . 0.0 111.018 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -61.13 -73.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.4 mt -47.53 -34.7 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -59.01 -70.08 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.565 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.22 -35.06 76.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.053 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 13' ' ' LEU . 5.5 tt -58.71 -65.64 0.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.79 73.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.24 83.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.46 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -60.28 -64.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.841 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' HB1' ' HA ' ' A' ' 22' ' ' ILE . . . -59.61 -21.51 60.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.542 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -60.51 -68.74 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.33 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.886 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.616 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -100.02 6.56 58.4 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.616 HG23 ' C ' ' A' ' 20' ' ' GLY . 2.0 t 74.39 99.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.008 0.432 . . . . 0.0 110.351 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.501 ' HA ' ' HB1' ' A' ' 17' ' ' ALA . 16.2 tt -81.88 142.42 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.594 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -115.6 160.16 20.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.655 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 4.5 mp0 -52.47 -33.54 45.06 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.17 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.22 -47.27 85.95 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.812 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.65 -42.04 98.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -53.5 -43.48 68.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.461 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.95 91.9 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.612 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -57.34 -63.48 1.21 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.75 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -50.03 -30.33 10.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.435 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.4 tp60 -58.55 -37.88 76.62 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.796 0.331 . . . . 0.0 110.865 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -59.46 -62.03 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.943 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.95 -41.81 71.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.683 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -61.21 -43.66 98.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.701 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -61.33 -42.24 98.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.692 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -64.84 -43.95 91.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.474 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -51.2 -49.83 60.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.378 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 38' ' ' LEU . 2.3 mm? -59.82 -43.26 94.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.367 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -64.98 -18.48 65.32 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.314 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.22 -19.12 29.13 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -64.32 98.88 0.25 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.903 0.382 . . . . 0.0 110.573 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.423 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mt -101.62 -53.78 7.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.196 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 m 41.05 80.06 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.324 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -154.91 -142.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.943 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.98 -28.64 67.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.81 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -66.01 -58.38 5.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.992 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.7 mp -57.26 -42.75 80.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.04 61.56 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.075 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -67.1 -58.37 5.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -54.18 -61.73 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.649 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -55.46 -39.89 70.92 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.137 -178.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.71 -50.36 72.74 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -61.13 -45.33 95.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.169 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.23 -47.15 75.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.347 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.38 84.3 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.553 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' GLY . 62.0 mttt -62.55 -62.65 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.124 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.57 -18.07 50.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.514 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -72.29 -69.15 0.42 Allowed 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.811 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.73 -6.05 52.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.657 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . -100.98 -29.88 6.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 t 49.32 76.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.056 0.455 . . . . 0.0 110.199 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.6 pt -87.85 -130.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.716 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 25' ' ' GLU . 32.1 m -107.68 141.35 39.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.655 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.22 -28.09 25.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.565 ' H ' HG22 ' A' ' 23' ' ' THR . 20.4 tp10 -57.07 -50.59 72.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.193 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.02 -47.67 76.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.333 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.68 ' HA ' HE21 ' A' ' 30' ' ' GLN . 82.0 mttt -55.21 -42.67 73.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.572 179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.1 88.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -59.42 -70.37 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.438 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.68 HE21 ' HA ' ' A' ' 27' ' ' LYS . 19.9 pt20 -52.93 -31.54 40.72 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.472 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -56.68 -37.45 70.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.053 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -58.37 -57.88 10.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.883 0.373 . . . . 0.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.51 -33.59 68.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.857 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -66.45 -50.32 63.74 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.43 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.06 -33.84 75.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.455 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -66.2 -47.2 74.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.687 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -49.55 -35.77 21.5 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 mt -58.94 -52.64 64.87 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.769 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -61.95 -28.26 69.41 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.46 5.48 83.26 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -172.93 98.17 0.13 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.771 0.286 . . . . 0.0 110.988 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 . . . . . 0 N--CA 1.467 0.384 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.184 179.662 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.9 mt 55.48 94.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 p -142.98 72.08 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.26 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -138.32 -154.34 0.53 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.671 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.66 -13.58 10.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -67.53 -42.77 82.21 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.745 0.307 . . . . 0.0 110.241 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 mm -56.68 -46.39 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.596 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . -58.88 -37.92 77.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.252 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -58.55 -48.51 80.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.228 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.449 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 77.3 mt -52.09 -61.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.421 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.596 ' ND2' ' HA ' ' A' ' 8' ' ' ALA . 1.5 p30 -62.48 -38.11 88.57 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.294 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.33 -59.07 5.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.736 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -36.12 72.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.553 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.24 -63.66 1.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.452 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.87 -33.69 75.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.756 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -60.45 -58.5 8.21 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -21.61 61.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.063 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -78.62 -69.55 0.56 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.143 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.53 -4.93 39.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.131 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.58 -68.16 0.84 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 p -172.75 99.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 110.111 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 tp -91.06 146.16 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -173.44 163.95 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.345 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -47.5 -33.29 6.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -59.12 -66.7 0.46 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.616 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.12 -44.37 92.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.609 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -53.01 -45.53 67.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.72 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.93 97.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -56.21 -59.22 5.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.26 -41.22 60.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -57.6 -38.99 75.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -59.74 -62.18 2.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mt -55.93 -39.82 72.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.029 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.558 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 38.8 ttm105 -61.76 -41.25 97.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.977 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -59.56 -30.12 68.41 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.07 -64.25 0.94 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.83 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -55.2 -58.82 6.14 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.373 179.529 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 41' ' ' PHE . 3.6 mm? -53.57 -32.89 52.74 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.619 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -58.06 -43.03 86.69 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 41' ' ' PHE . . . -91.13 -9.06 64.03 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 177.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t80 90.23 -161.01 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.007 0.523 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 . . . . . 0 N--CA 1.464 0.254 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.958 179.793 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.516 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.8 mpp? . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mm -128.04 -30.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.281 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.1 p -89.66 92.51 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.353 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.555 ' ND2' ' H ' ' A' ' 5' ' ' ALA . 15.0 p-10 -173.55 -118.91 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.315 -179.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.555 ' H ' ' ND2' ' A' ' 4' ' ' ASN . . . -69.44 -20.39 63.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.426 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -66.61 -38.31 86.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.6 mt -57.22 -47.06 84.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.834 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.24 -42.54 81.68 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.289 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -59.97 -63.58 1.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.026 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -51.32 -51.59 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.753 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -59.96 -58.17 9.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.466 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.27 -51.81 68.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.232 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.3 tt -58.12 -52.52 65.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.664 0.268 . . . . 0.0 110.629 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.46 -58.96 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.33 74.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -62.6 -67.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.133 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.15 60.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.36 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -78.53 -35.99 45.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.62 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.02 -23.1 58.13 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.338 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.7 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.5 -76.96 1.25 Allowed Glycine 0 CA--C 1.525 0.703 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.393 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 20' ' ' GLY . 1.8 m -165.13 87.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 tt -69.58 165.42 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.076 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.97 164.88 18.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.543 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -49.86 -31.18 11.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.12 -61.49 2.52 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.15 -44.92 95.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.858 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -39.11 70.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.35 86.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -57.7 -65.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.397 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -51.74 -20.53 2.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.763 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -53.23 -42.7 66.67 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.657 0.265 . . . . 0.0 110.998 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -59.93 -64.23 1.02 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.06 -41.16 74.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.733 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -64.45 -39.16 93.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.017 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -59.6 -53.74 54.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.095 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -65.53 -40.13 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.635 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' PHE . 56.2 t80 -54.74 -53.37 55.9 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.584 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.15 -29.0 67.09 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.063 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -65.53 -63.82 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.709 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -81.51 -6.78 88.91 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' C ' ' O ' ' A' ' 40' ' ' GLY . 24.9 t80 21.91 65.52 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.978 0.418 . . . . 0.0 111.211 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 . . . . . 0 C--O 1.233 0.215 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.081 -179.206 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mmt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 3' ' ' SER . 13.7 mt -98.84 -131.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.525 ' H ' HG22 ' A' ' 2' ' ' ILE . 0.7 OUTLIER 59.7 3.56 0.46 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.74 0.305 . . . . 0.0 110.77 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.443 ' H ' ' C ' ' A' ' 2' ' ' ILE . 1.6 p30 -76.96 -166.14 0.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.746 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.95 -12.3 0.8 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.329 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 32.5 mmtm -66.87 -56.25 11.14 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mm -57.1 -49.46 79.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.378 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.58 -38.39 69.31 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -61.14 -75.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.8 mt -52.11 -37.22 21.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.312 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -58.0 -64.09 1.03 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.507 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.82 -30.62 69.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.941 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 13' ' ' LEU . 2.7 tt -60.34 -61.21 2.76 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.652 0.263 . . . . 0.0 110.438 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.92 69.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.752 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.48 98.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.331 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -62.9 -59.58 4.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.965 0.412 . . . . 0.0 110.186 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.71 -23.08 49.89 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.272 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -81.49 -45.19 16.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.26 -15.25 60.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.766 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.836 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.87 -77.11 1.25 Allowed Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.326 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.836 HG13 ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -175.04 88.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.5 tt -68.84 160.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.41 153.24 40.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -50.72 -32.68 20.22 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.105 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.29 -55.33 34.97 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.458 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 3.2 mp0 -62.71 -40.49 97.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.534 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -53.14 -44.82 68.04 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.384 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.62 98.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.448 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -56.87 -55.8 29.74 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 10.6 mt-30 -51.09 -43.73 61.11 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.708 0.289 . . . . 0.0 110.662 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -59.53 -40.99 88.98 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.47 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -61.02 -54.15 48.38 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -54.75 -49.24 71.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.637 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.2 -44.73 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.539 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -60.74 -40.51 92.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.588 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -65.36 -42.44 92.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.403 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -54.08 -45.8 71.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.9 mt -59.25 -46.95 87.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.521 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -65.02 -30.4 71.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.114 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.54 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . -87.01 -2.04 84.17 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 75.2 m-85 -165.78 74.91 0.21 Allowed 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.948 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 tpt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.438 ' C ' ' H ' ' A' ' 4' ' ' ASN . 13.2 tt -103.6 -12.77 8.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.377 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.469 ' C ' ' H ' ' A' ' 5' ' ' ALA . 1.4 m 75.03 -34.66 0.27 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 2' ' ' ILE . 2.5 t-20 73.88 -27.7 0.19 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' A' ' 3' ' ' SER . . . -60.41 -19.45 56.09 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.167 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -68.9 -45.2 71.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.967 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mm -56.41 -56.71 12.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.283 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.93 -36.07 67.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.029 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -60.98 -76.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.789 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.9 -34.44 20.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.034 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -58.48 -58.68 7.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.656 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.45 -47.09 86.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.29 -51.9 67.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.33 67.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -61.71 -40.01 93.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.69 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -63.37 -55.07 27.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.155 0.502 . . . . 0.0 109.777 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.19 -27.38 61.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.421 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -84.43 -29.78 25.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.24 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -74.61 -75.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.379 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.45 ' C ' HG12 ' A' ' 21' ' ' VAL . . . -101.23 -77.13 1.24 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 ' C ' ' A' ' 20' ' ' GLY . 2.1 p 162.2 97.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.52 -170.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.783 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 m -95.42 147.05 23.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -51.82 -42.21 62.35 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.515 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -58.18 -50.96 71.71 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.18 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -61.76 -41.89 98.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.65 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -56.39 -39.31 72.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.774 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.1 91.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.692 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.29 -50.55 72.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.011 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -50.92 -38.86 52.64 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.789 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -56.63 -41.11 76.57 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.448 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -59.74 -55.64 31.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.58 -52.82 63.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.713 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.67 -49.45 62.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.98 -37.21 83.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -64.82 -41.95 95.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.723 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -52.9 -44.3 66.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.1 mm? -58.89 -39.14 80.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.302 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -64.63 -26.78 68.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.202 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.493 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . -81.09 6.12 64.23 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.493 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 26.2 m-85 -167.25 91.92 0.4 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.646 0.26 . . . . 0.0 110.526 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.092 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.424 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.6 mpt? . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 tp -67.06 136.74 26.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.371 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -158.74 73.06 0.61 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.06 0.457 . . . . 0.0 110.649 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.9 p-10 -150.74 -146.93 0.21 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.609 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.51 -18.86 3.1 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.352 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 26.6 mmtm -67.4 -42.22 83.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.805 0.336 . . . . 0.0 110.49 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.7 mm -55.33 -51.03 60.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.35 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.29 -36.86 76.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.89 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -61.69 -53.98 48.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.916 0.389 . . . . 0.0 110.661 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -55.14 -60.85 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.738 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -58.35 -29.96 66.38 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.4 -66.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.567 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pp -61.09 -26.25 67.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.06 -70.94 0.1 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.302 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.98 82.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.596 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -61.66 -61.54 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.77 -18.24 30.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.159 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -67.62 0.47 Allowed 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.013 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.42 -5.15 46.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.611 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.37 -75.49 1.17 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 p -172.56 100.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 22' ' ' ILE . 7.0 tp -85.46 118.38 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 m -107.42 144.91 33.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.255 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -48.84 -30.7 6.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -59.86 -65.49 0.67 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.36 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -65.73 -40.07 91.8 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.227 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -53.76 -42.69 68.49 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.16 93.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.863 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.75 -69.53 0.17 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.715 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -40.38 36.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.0 tp60 -57.11 -43.44 82.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.876 0.37 . . . . 0.0 110.244 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -60.48 -63.06 1.43 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.267 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.41 -39.66 70.47 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -57.36 -49.81 74.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.554 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -60.54 -44.24 96.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -65.96 -48.86 69.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.921 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -50.97 -41.62 59.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.787 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.26 -40.9 83.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.47 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -65.13 -33.32 75.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.185 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.98 5.13 68.57 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -174.56 79.18 0.03 OUTLIER 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.838 0.352 . . . . 0.0 110.331 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.225 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptt? . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.739 HG22 ' H ' ' A' ' 4' ' ' ASN . 70.6 mt -96.93 111.62 27.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 t -85.21 22.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.933 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.739 ' H ' HG22 ' A' ' 2' ' ' ILE . 9.5 m-20 59.03 23.37 11.51 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.485 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 -30.5 48.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.83 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -69.23 -57.23 5.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.541 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.4 mt -54.56 -46.78 72.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.174 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.47 -43.97 72.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.262 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -62.13 -47.45 84.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.388 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.2 mt -56.59 -62.7 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.989 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -59.3 -28.97 67.26 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.614 -178.779 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' N ' HD22 ' A' ' 11' ' ' ASN . 88.0 tt0 -60.02 -49.06 79.14 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.1 -52.32 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.444 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.53 -36.16 71.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.76 89.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -61.5 -51.94 66.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.55 -17.21 19.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.756 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -88.83 -48.31 7.57 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.237 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.33 44.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.923 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.5 -76.93 1.13 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.582 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.6 p 176.97 -44.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 121.342 -0.143 . . . . 0.0 110.712 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 21' ' ' VAL . 12.2 tt 118.86 165.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 124.462 1.101 . . . . 0.0 110.185 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.5 p -141.36 153.29 45.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.051 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -49.09 -41.84 36.96 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.477 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -61.07 -49.5 77.1 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.722 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.74 -39.46 94.19 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -52.04 -50.63 61.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.82 91.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -57.31 -54.57 45.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.973 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.75 -50.61 24.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 61.8 tp60 -59.38 -37.69 78.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.682 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -59.19 -58.09 10.17 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.5 mt -56.51 -37.51 70.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.704 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -66.03 -39.36 90.11 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.685 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 19.3 tm0? -60.95 -50.24 74.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.908 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.17 -37.74 88.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.331 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -52.77 -54.65 30.97 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.65 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.4 mm? -59.85 -38.53 82.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.539 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -65.36 -34.42 78.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.306 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.27 4.6 71.21 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -173.93 95.44 0.1 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.874 0.368 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.368 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.602 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.8 mt -125.83 -50.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.981 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.1 p 47.79 21.64 0.29 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.209 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 8.7 m-20 53.86 18.01 1.48 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.78 -34.42 58.0 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.934 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -67.49 -52.86 34.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.113 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.565 HD12 ' H ' ' A' ' 7' ' ' ILE . 2.7 mp -56.15 -52.63 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.303 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.5 -45.01 73.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.345 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -60.47 -75.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.765 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.9 mt -49.45 -38.94 13.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.236 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 30.1 t30 -59.95 -54.08 50.34 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.662 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.34 -52.41 65.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.74 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.3 tt -60.0 -54.44 46.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.751 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.47 -57.08 11.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.7 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -61.32 -62.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.78 -18.93 24.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.214 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -75.74 -63.43 1.3 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.328 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.83 -6.72 48.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.476 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.52 -70.64 0.92 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 p -174.12 100.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.933 0.397 . . . . 0.0 110.146 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -92.32 136.24 25.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 p -139.18 161.29 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.977 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -50.7 -35.42 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.438 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -59.75 -47.47 85.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.744 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -61.73 -53.8 51.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.447 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -52.8 -37.67 60.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.63 76.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.291 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -57.48 -57.24 13.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.65 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -50.62 -45.25 57.5 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 55.9 tt0 -57.63 -37.73 73.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.687 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.93 -50.98 71.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.296 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.2 -62.04 1.99 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 34' ' ' ARG . 35.5 mtt85 -46.47 -52.13 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.16 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -62.0 -46.17 90.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.676 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -64.47 -40.11 95.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.148 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -55.86 -60.29 3.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.769 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.33 -41.4 84.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -64.91 -50.81 65.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -44.63 -70.48 0.59 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' C ' ' O ' ' A' ' 40' ' ' GLY . 46.1 t80 20.56 60.68 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.055 0.455 . . . . 0.0 111.183 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.634 -179.348 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tt -73.69 155.54 6.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.307 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 p -108.39 58.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.495 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -146.4 -93.75 0.09 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.616 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.43 -26.06 3.01 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.124 0.487 . . . . 0.0 110.239 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -69.61 -49.56 52.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.339 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.7 mt -54.07 -48.87 64.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.077 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.56 -39.0 72.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.344 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -62.34 -75.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.507 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.9 mt -46.55 -42.27 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.716 0.293 . . . . 0.0 110.684 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -59.44 -66.62 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.537 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.36 -41.73 94.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.244 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.8 tt -57.55 -56.7 18.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.91 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.466 ' HA ' HE22 ' A' ' 30' ' ' GLN . . . -52.19 -52.58 51.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.08 98.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.322 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -64.34 -62.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -20.26 16.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.262 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -75.25 -68.39 0.56 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.95 -4.0 35.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.65 -75.89 1.15 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p 176.74 100.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.65 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 tt -94.83 137.29 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.342 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.3 p -115.75 171.67 7.61 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.705 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -50.77 -44.83 58.81 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.78 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.16 -54.69 44.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.642 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.71 -53.07 60.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.978 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -53.08 -48.69 67.55 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.01 81.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.662 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.3 -63.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.466 HE22 ' HA ' ' A' ' 14' ' ' ALA . 8.2 mt-30 -49.5 -26.99 3.82 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.076 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -55.35 -54.48 43.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -59.76 -60.99 2.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.407 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.0 mt -53.52 -64.43 0.82 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.076 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -47.42 -42.26 21.82 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.181 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -61.54 -59.59 4.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.411 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 40' ' ' GLY . 36.2 mm-40 -62.19 -37.65 86.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -56.8 -65.68 0.57 Allowed 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.78 -43.17 94.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.679 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -65.99 -25.74 67.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.418 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -100.38 -43.9 2.27 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -65.86 74.62 0.07 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.87 0.366 . . . . 0.0 110.09 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.522 -179.422 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mmm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.6 tt -69.58 159.28 5.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 120.777 0.322 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 p -155.42 109.09 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.42 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.409 HD22 ' HG3' ' A' ' 6' ' ' LYS . 11.7 p-10 -152.09 -153.36 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.052 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.17 -22.68 0.25 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.253 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LYS . . . . . 0.409 ' HG3' HD22 ' A' ' 4' ' ' ASN . 63.0 mttt -68.97 -72.9 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.4 mp -56.04 -38.9 55.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.529 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.19 80.41 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.538 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -60.48 -69.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.613 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.414 ' H ' HG23 ' A' ' 10' ' ' ILE . 2.0 pt -53.41 -36.3 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.209 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -61.95 -62.02 2.08 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 110.34 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -57.19 -48.06 79.69 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.438 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -56.99 -51.59 68.65 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.142 179.755 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.66 -56.12 22.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.35 97.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 51.3 tttm -64.18 -60.84 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.397 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.11 -16.28 7.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.135 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -83.37 -67.49 0.79 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.186 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.52 -1.8 22.97 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.611 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -101.39 -76.34 1.19 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 20' ' ' GLY . 2.7 m -161.34 91.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.458 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 22' ' ' ILE . 3.4 tp -82.39 129.03 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.135 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 m -135.48 154.83 51.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 25' ' ' GLU . 10.6 pt-20 -45.75 -40.28 9.28 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.345 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.45 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 23.3 mt-10 -59.05 -55.78 30.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.659 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.35 -38.51 91.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -53.13 -44.56 67.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.169 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.32 -50.84 72.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.87 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.515 ' OE2' HD21 ' A' ' 33' ' ' LEU . 2.5 tm-20 -57.89 -67.38 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.852 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.21 -21.11 1.21 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.139 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -56.24 -46.9 79.39 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.405 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -59.65 -68.43 0.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.613 ' H ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.37 -39.57 46.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.498 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.7 ttp85 -61.55 -46.14 91.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.017 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -58.77 -29.96 67.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.371 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.97 -58.46 6.66 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -51.73 -54.19 31.2 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.6 mt -57.42 -54.67 44.21 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.183 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -63.83 -12.12 33.23 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.092 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.19 -10.82 58.09 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.08 150.51 24.79 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.795 -179.573 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 mtt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.824 HD12 ' H ' ' A' ' 3' ' ' SER . 0.7 OUTLIER -144.34 -37.78 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.33 179.433 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.824 ' H ' HD12 ' A' ' 2' ' ' ILE . 7.0 t 59.59 2.05 0.32 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.987 0.422 . . . . 0.0 110.512 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.485 ' H ' ' C ' ' A' ' 2' ' ' ILE . 29.6 m120 -75.0 137.04 41.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -6.96 5.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.665 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -65.0 -56.04 15.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.12 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.7 mp -57.41 -43.55 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.879 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.05 -40.22 76.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -61.86 -74.11 0.09 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.587 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.2 mt -46.83 -39.4 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -58.67 -60.95 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.204 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -44.51 97.06 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.808 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt -58.31 -48.53 80.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.7 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.48 -61.46 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.021 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.15 77.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.196 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.43 -66.71 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.35 -20.59 44.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -85.12 -66.46 0.89 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.14 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.46 -4.59 34.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.575 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.68 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.46 -76.55 1.23 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 20' ' ' GLY . 1.4 m -164.52 90.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 22' ' ' ILE . 3.9 tp -68.03 124.11 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.956 0.408 . . . . 0.0 110.504 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -112.95 148.9 34.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.573 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -50.95 -41.66 59.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.328 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.66 -50.19 74.83 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.389 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -62.68 -37.67 87.34 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.123 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -53.88 -45.58 71.08 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.108 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.12 99.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.259 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.26 -62.86 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.44 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 mt-30 -50.27 -25.93 4.24 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.431 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -54.82 -55.71 27.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.049 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -60.55 -56.97 14.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.04 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.4 mt -55.0 -48.8 72.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -59.38 -42.26 91.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.837 0.351 . . . . 0.0 110.459 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -61.2 -49.02 78.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.124 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.78 -44.95 84.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.288 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -53.64 -49.21 68.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.668 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -43.98 81.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.087 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -66.81 -35.12 79.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.258 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.56 5.98 66.83 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.02 -9.85 8.31 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.677 0.275 . . . . 0.0 110.937 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.709 179.716 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.549 ' ND2' ' H ' ' A' ' 6' ' ' LYS . 3.2 p-10 . . . . . 0 CA--C 1.53 0.196 0 CA-C-O 120.642 0.258 . . . . 0.0 110.851 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.52 -10.97 1.09 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.449 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.549 ' H ' ' ND2' ' A' ' 4' ' ' ASN . 19.7 ttmt -68.23 -58.75 3.94 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.474 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.8 mp -55.92 -46.28 80.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.125 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.435 ' HA ' HD22 ' A' ' 11' ' ' ASN . . . -59.17 -47.53 84.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.964 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -60.21 -50.22 74.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.5 mt -52.03 -54.41 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.045 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.435 HD22 ' HA ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -59.75 -40.18 87.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.673 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -60.61 -60.06 4.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.722 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.2 tt -58.93 -47.07 86.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.887 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.13 -56.68 17.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.2 84.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -63.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.384 . . . . 0.0 110.056 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.69 -25.91 60.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.232 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -74.13 -57.79 3.73 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.47 -0.96 16.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.32 -76.82 1.25 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 20' ' ' GLY . 11.3 m -156.37 -38.78 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.768 0.318 . . . . 0.0 110.412 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 69.8 132.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.32 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -131.94 151.24 51.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.535 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -49.51 -42.74 44.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.5 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -59.35 -53.13 61.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.545 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 40.8 mt-10 -62.34 -52.36 63.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.259 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -52.56 -39.17 61.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.16 99.36 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.716 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.38 -59.54 5.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 5.2 mt-30 -50.65 -29.5 11.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.827 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -57.13 -60.43 3.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 33' ' ' LEU . 13.1 pttm -59.0 -40.24 84.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.947 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 60.0 mt -57.56 -58.4 8.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -66.34 -41.67 89.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.528 179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 p30 . . . . . 0 N--CA 1.467 0.376 0 CA-C-O 120.963 0.411 . . . . 0.0 112.074 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.07 -5.72 3.34 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.594 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -65.71 -38.64 89.77 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 24.7 mm -57.0 -54.46 29.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.447 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . -59.79 -36.27 76.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.464 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -59.09 -50.87 72.42 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.441 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.3 mt -52.5 -59.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -61.73 -38.73 89.0 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.07 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.59 -54.66 43.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.993 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.6 tt -55.83 -45.68 78.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.611 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.51 -56.53 19.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.746 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.8 79.51 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.495 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -60.83 -64.84 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.83 -20.71 52.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.426 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -64.38 -65.42 0.68 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.071 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.56 -2.98 25.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.536 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.94 -75.56 1.3 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.3 t -152.11 -63.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.775 0.321 . . . . 0.0 110.72 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 69.05 146.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.321 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.22 169.96 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.326 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.595 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 9.2 mp0 -48.92 -36.53 17.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.359 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.5 -56.8 17.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.89 -51.65 60.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.617 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -51.5 -42.37 61.64 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.75 96.6 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -57.43 -57.52 12.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.216 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -49.68 -42.89 46.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.825 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -58.1 -41.66 84.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.741 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -59.73 -51.51 69.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.351 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.22 -52.24 65.15 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.073 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 14.7 ttm180 -59.71 -42.25 92.64 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.208 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 . . . . . 0 C--N 1.331 -0.235 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.338 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t30 . . . . . 0 CA--C 1.531 0.218 0 CA-C-O 120.563 0.22 . . . . 0.0 110.551 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -61.06 -20.63 62.8 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.018 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -68.02 -32.58 73.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.906 0.384 . . . . 0.0 110.168 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mt -57.01 -64.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.562 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.3 -33.17 65.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.144 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -60.1 -75.91 0.05 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.713 0.292 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -52.87 -39.19 30.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -59.17 -61.35 2.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -58.66 -40.62 83.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.714 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 13' ' ' LEU . 4.2 tt -59.46 -47.72 84.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.29 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.15 -43.22 78.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.635 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.3 77.06 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.115 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.2 mmmt -62.13 -63.27 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.716 ' HB1' ' HA ' ' A' ' 22' ' ' ILE . . . -60.76 -21.22 62.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.389 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.72 -69.5 0.22 Allowed 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.51 -8.9 59.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.316 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.579 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -100.61 5.29 56.86 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.579 HG23 ' C ' ' A' ' 20' ' ' GLY . 1.5 t 67.05 99.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.869 0.366 . . . . 0.0 110.677 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.716 ' HA ' ' HB1' ' A' ' 17' ' ' ALA . 2.1 tt -58.02 144.65 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.53 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 p -109.73 156.3 20.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -52.24 -49.1 64.68 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.25 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.37 -41.83 94.53 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.432 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -63.75 -46.58 84.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -52.36 -47.44 66.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.51 87.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.26 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -57.27 -59.25 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.281 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.548 HE21 HD22 ' A' ' 13' ' ' LEU . 3.9 mt-30 -50.52 -35.56 30.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -57.53 -51.23 70.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.951 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -58.76 -51.53 69.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.6 mt -56.21 -40.12 73.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.63 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -70.9 -34.57 71.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.964 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.688 -179.662 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.165 0 CA-C-O 120.803 0.335 . . . . 0.0 110.532 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.99 -6.4 3.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.396 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.526 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -68.13 -60.66 2.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.585 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.442 HD12 ' H ' ' A' ' 7' ' ' ILE . 2.2 mp -55.85 -50.88 65.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.65 76.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 tpp85 -61.67 -68.34 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.551 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.5 mt -52.26 -42.22 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.146 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -58.32 -51.42 69.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.622 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -58.55 -45.41 89.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.224 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 tt -59.95 -50.73 72.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.59 -57.25 11.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.374 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.15 83.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.32 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.07 -59.03 5.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.82 -26.13 57.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.772 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -63.23 -62.74 1.49 Allowed 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 0.17 11.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.468 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -99.55 -76.11 1.22 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 20' ' ' GLY . 3.6 m -156.61 -36.79 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.405 0.145 . . . . 0.0 110.624 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp 41.41 97.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.509 0.671 . . . . 0.0 111.436 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.2 p -108.84 161.59 14.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.744 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -52.61 -41.99 64.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.99 -55.28 32.57 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.631 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.66 -45.91 87.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.372 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -54.16 -44.33 71.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.83 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.725 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -58.41 -68.31 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -50.91 -35.42 33.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -58.88 -38.9 79.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -60.4 -49.68 76.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.489 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 33' ' ' LEU . 81.7 mt -55.41 -45.96 76.67 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -53.35 -55.77 22.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.095 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.431 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 1.3 m120 . . . . . 0 N--CA 1.463 0.18 0 CA-C-O 120.817 0.342 . . . . 0.0 110.488 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -82.3 -27.04 32.55 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.289 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -68.04 -46.15 71.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.885 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.2 mt -55.6 -51.55 57.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.098 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.29 79.84 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -60.17 -74.3 0.08 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.713 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mt -49.54 -41.25 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.857 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -60.73 -58.85 6.7 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.098 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.59 -39.91 81.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.757 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt -60.87 -45.35 94.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.6 -52.04 63.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.294 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -34.21 77.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.366 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' GLY . 26.0 ttmt -61.37 -62.23 1.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.09 -18.02 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.444 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -64.18 -67.76 0.41 Allowed 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.37 -6.33 54.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.649 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.581 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -99.49 -3.71 56.29 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.581 HG23 ' C ' ' A' ' 20' ' ' GLY . 1.5 t 67.41 94.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 121.133 0.492 . . . . 0.0 110.659 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -51.99 135.46 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.463 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 p -112.95 154.27 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.076 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 24.5 mp0 -49.03 -40.8 32.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.36 -50.82 72.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.395 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -63.59 -47.27 82.15 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.662 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -50.62 -45.13 57.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.49 99.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.073 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -58.77 -56.98 15.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.874 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -48.79 -38.25 21.48 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.358 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -55.89 -39.61 71.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.885 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -59.81 -53.97 51.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.715 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.73 -49.88 73.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -58.24 -38.54 77.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.353 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 . . . . . 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.213 179.726 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 . . . . . 0 N--CA 1.463 0.19 0 CA-C-O 120.531 0.205 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.72 65.88 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.705 0.288 . . . . 0.0 110.715 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -68.26 -32.48 72.69 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.6 mt -53.87 -62.07 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.078 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.52 -37.27 70.22 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.539 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.427 HH21 HD13 ' A' ' 33' ' ' LEU . 31.2 ttp85 -62.32 -44.92 95.39 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.294 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.7 mt -53.45 -63.44 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.19 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 9.5 p-10 -61.11 -33.36 73.24 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.922 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -60.24 -47.0 87.83 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.742 0.306 . . . . 0.0 110.184 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.681 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.9 tm? -60.05 -46.03 90.89 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.834 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.6 -53.62 44.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.273 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.54 83.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -62.15 2.07 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 22' ' ' ILE . . . -58.51 -22.45 55.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.235 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -71.46 -67.27 0.53 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.68 -6.36 46.32 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.85 -75.67 1.16 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p -177.2 100.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' ALA . 4.1 tt -89.91 138.87 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.778 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.0 p -135.97 165.53 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.923 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -49.23 -35.83 18.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -60.21 -62.13 2.09 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -64.38 -42.47 96.13 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -54.73 -43.49 72.69 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.779 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.91 92.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.86 0.362 . . . . 0.0 110.268 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -64.67 0.84 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.123 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -49.02 -38.7 24.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.67 -47.49 84.31 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -60.45 -58.5 8.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.041 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.427 HD13 HH21 ' A' ' 9' ' ' ARG . 82.2 mt -55.79 -37.99 69.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.774 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -58.7 -41.78 87.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.41 179.883 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.536 ' N ' HD22 ' A' ' 4' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.874 0.369 . . . . 0.0 110.821 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.98 -29.22 59.93 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.158 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.426 ' H ' ' ND2' ' A' ' 4' ' ' ASN . 35.1 tttt -68.09 -58.62 4.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.69 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.0 mm -56.32 -53.29 41.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.604 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.13 -34.4 68.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.13 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.95 -51.43 61.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.294 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.75 -66.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.967 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 17.5 p-10 -58.02 -46.06 85.9 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -178.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.19 -62.02 2.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.688 0.28 . . . . 0.0 111.094 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -58.61 -45.76 88.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.3 -61.69 2.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.295 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.29 80.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.342 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -62.51 -65.78 0.64 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.887 0.375 . . . . 0.0 110.303 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.518 ' HB1' HG13 ' A' ' 22' ' ' ILE . . . -57.81 -20.64 37.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.412 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -79.18 -52.68 7.84 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.359 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.22 -2.66 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.025 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -98.81 -76.89 1.29 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 20' ' ' GLY . 8.0 m -159.67 -45.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.535 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.518 HG13 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER 67.99 122.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.061 -179.073 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -123.78 170.36 10.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.284 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -50.72 -43.22 57.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 4.8 mp0 -59.51 -50.67 73.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.591 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.67 -52.19 58.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.412 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -53.95 -42.67 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.62 96.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.31 -61.2 2.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -48.86 -36.98 18.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.312 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -56.13 -45.07 79.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.2 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -58.82 -60.47 3.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.001 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.26 -56.02 27.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.317 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -49.98 -41.9 47.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 -179.81 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.53 0.173 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.45 -18.24 49.99 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -68.8 -47.22 66.66 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.926 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.413 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 33.0 mt -55.66 -54.28 27.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.084 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.0 -34.82 66.15 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.735 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -63.71 -46.47 85.27 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.125 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.0 mt -51.52 -64.37 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.046 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 5.8 p-10 -60.31 -38.23 83.04 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.792 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.31 -52.99 62.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.393 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 tt -59.33 -41.48 89.22 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.394 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.02 -52.56 62.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.091 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.7 92.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.26 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -61.11 -61.33 2.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.683 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -58.07 -20.2 37.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.125 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -60.6 -66.39 0.54 Allowed 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.61 -7.18 55.99 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.462 177.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.637 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -100.4 5.16 57.14 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.637 HG23 ' C ' ' A' ' 20' ' ' GLY . 1.9 t 74.61 -65.07 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 C-N-CA 122.621 0.368 . . . . 0.0 110.57 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 21' ' ' VAL . 3.7 tp 129.34 138.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 124.676 1.235 . . . . 0.0 109.532 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.5 p -107.35 152.04 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.173 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 6.2 mp0 -50.62 -46.26 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.377 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.54 -48.53 81.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.809 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -63.91 -50.07 70.17 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.041 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -50.26 -48.87 54.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.756 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.44 86.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.342 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.59 -57.66 11.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.373 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -48.47 -33.54 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.716 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -55.58 -55.26 34.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.7 0.286 . . . . 0.0 110.954 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -61.08 -54.8 40.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -54.67 -37.15 65.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.299 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -70.46 -60.11 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.205 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? . . . . . 0 CA--C 1.531 0.214 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.032 -179.418 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.463 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.32 0 CA-C-O 120.464 0.174 . . . . 0.0 111.22 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' ASN . . . -30.77 -57.43 0.21 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -69.28 -66.34 0.59 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.9 mp -52.84 -49.84 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.435 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.82 -40.39 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.664 0.268 . . . . 0.0 111.018 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -61.13 -73.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.4 mt -47.53 -34.7 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -59.01 -70.08 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.565 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.22 -35.06 76.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.053 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 13' ' ' LEU . 5.5 tt -58.71 -65.64 0.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.79 73.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.24 83.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.46 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -60.28 -64.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.841 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.501 ' HB1' ' HA ' ' A' ' 22' ' ' ILE . . . -59.61 -21.51 60.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.542 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -60.51 -68.74 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.33 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.886 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.616 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -100.02 6.56 58.4 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.616 HG23 ' C ' ' A' ' 20' ' ' GLY . 2.0 t 74.39 99.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.008 0.432 . . . . 0.0 110.351 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.501 ' HA ' ' HB1' ' A' ' 17' ' ' ALA . 16.2 tt -81.88 142.42 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.594 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -115.6 160.16 20.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.655 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 4.5 mp0 -52.47 -33.54 45.06 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.17 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.22 -47.27 85.95 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.812 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.65 -42.04 98.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -53.5 -43.48 68.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.461 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.95 91.9 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.612 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -57.34 -63.48 1.21 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.75 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -50.03 -30.33 10.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.435 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -37.88 76.62 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.796 0.331 . . . . 0.0 110.865 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -59.46 -62.03 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.943 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.95 -41.81 71.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.683 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -61.21 -43.66 98.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.701 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.692 -179.921 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 . . . . . 0 C--O 1.232 0.165 0 N-CA-C 109.943 -0.391 . . . . 0.0 109.943 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.98 -28.64 67.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.81 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -66.01 -58.38 5.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.992 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.7 mp -57.26 -42.75 80.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.04 61.56 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.075 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -67.1 -58.37 5.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -54.18 -61.73 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.649 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -55.46 -39.89 70.92 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.137 -178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.71 -50.36 72.74 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -61.13 -45.33 95.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.169 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.23 -47.15 75.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.347 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.38 84.3 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.553 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' GLY . 62.0 mttt -62.55 -62.65 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.124 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.57 -18.07 50.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.514 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -72.29 -69.15 0.42 Allowed 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.811 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.73 -6.05 52.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.657 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . -100.98 -29.88 6.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 t 49.32 76.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.056 0.455 . . . . 0.0 110.199 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.6 pt -87.85 -130.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.716 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 25' ' ' GLU . 32.1 m -107.68 141.35 39.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.655 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.22 -28.09 25.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.565 ' H ' HG22 ' A' ' 23' ' ' THR . 20.4 tp10 -57.07 -50.59 72.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.193 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.02 -47.67 76.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.333 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -55.21 -42.67 73.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.572 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.1 88.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -59.42 -70.37 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.438 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -52.93 -31.54 40.72 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.472 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -56.68 -37.45 70.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.053 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -58.37 -57.88 10.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.883 0.373 . . . . 0.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.51 -33.59 68.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.857 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -66.45 -50.32 63.74 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.43 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 . . . . . 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.455 179.698 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 p30 . . . . . 0 CA--C 1.53 0.201 0 CA-C-O 120.689 0.28 . . . . 0.0 110.671 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.66 -13.58 10.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -67.53 -42.77 82.21 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.745 0.307 . . . . 0.0 110.241 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 mm -56.68 -46.39 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.596 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . -58.88 -37.92 77.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.252 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -58.55 -48.51 80.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.228 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 77.3 mt -52.09 -61.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.421 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.596 ' ND2' ' HA ' ' A' ' 8' ' ' ALA . 1.5 p30 -62.48 -38.11 88.57 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.294 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.33 -59.07 5.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.736 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -36.12 72.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.553 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.24 -63.66 1.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.452 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.87 -33.69 75.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.756 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -60.45 -58.5 8.21 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -21.61 61.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.063 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -78.62 -69.55 0.56 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.143 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.53 -4.93 39.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.131 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.58 -68.16 0.84 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 p -172.75 99.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 110.111 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 tp -91.06 146.16 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -173.44 163.95 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.345 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -47.5 -33.29 6.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -59.12 -66.7 0.46 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.616 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.12 -44.37 92.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.609 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -53.01 -45.53 67.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.72 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.93 97.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -56.21 -59.22 5.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.26 -41.22 60.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.6 -38.99 75.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -59.74 -62.18 2.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mt -55.93 -39.82 72.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.029 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 38.8 ttm105 -61.76 -41.25 97.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.977 179.246 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 . . . . . 0 C--N 1.331 -0.196 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.203 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' HD22 ' A' ' 4' ' ' ASN . 0.1 OUTLIER . . . . . 0 CA--C 1.533 0.311 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . 0.425 ' H ' ' CG ' ' A' ' 4' ' ' ASN . . . -69.44 -20.39 63.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.426 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -66.61 -38.31 86.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.6 mt -57.22 -47.06 84.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.834 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.24 -42.54 81.68 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.289 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -59.97 -63.58 1.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.026 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -51.32 -51.59 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.753 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -59.96 -58.17 9.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.466 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.27 -51.81 68.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.232 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.3 tt -58.12 -52.52 65.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.664 0.268 . . . . 0.0 110.629 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.46 -58.96 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.33 74.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -62.6 -67.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.133 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.15 60.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.36 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -78.53 -35.99 45.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.62 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.02 -23.1 58.13 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.338 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.7 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.5 -76.96 1.25 Allowed Glycine 0 CA--C 1.525 0.703 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.393 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 20' ' ' GLY . 1.8 m -165.13 87.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 tt -69.58 165.42 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.076 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.97 164.88 18.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.543 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -49.86 -31.18 11.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.12 -61.49 2.52 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.15 -44.92 95.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.858 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -39.11 70.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.35 86.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -57.7 -65.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.397 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.74 -20.53 2.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.763 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -53.23 -42.7 66.67 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.657 0.265 . . . . 0.0 110.998 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -59.93 -64.23 1.02 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.06 -41.16 74.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.733 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -64.45 -39.16 93.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.017 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.095 -179.924 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.461 ' ND2' ' HB2' ' A' ' 6' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.745 0.307 . . . . 0.0 110.746 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.95 -12.3 0.8 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.329 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.461 ' HB2' ' ND2' ' A' ' 4' ' ' ASN . 32.5 mmtm -66.87 -56.25 11.14 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mm -57.1 -49.46 79.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.378 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.58 -38.39 69.31 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -61.14 -75.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.8 mt -52.11 -37.22 21.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.312 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -58.0 -64.09 1.03 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.507 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.82 -30.62 69.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.941 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 13' ' ' LEU . 2.7 tt -60.34 -61.21 2.76 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.652 0.263 . . . . 0.0 110.438 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.92 69.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.752 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.48 98.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.331 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -62.9 -59.58 4.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.965 0.412 . . . . 0.0 110.186 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.71 -23.08 49.89 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.272 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -81.49 -45.19 16.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.26 -15.25 60.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.766 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.836 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.87 -77.11 1.25 Allowed Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.326 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.836 HG13 ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -175.04 88.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.5 tt -68.84 160.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.41 153.24 40.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -50.72 -32.68 20.22 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.105 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.29 -55.33 34.97 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.458 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 3.2 mp0 -62.71 -40.49 97.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.534 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -53.14 -44.82 68.04 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.384 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.62 98.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.448 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -56.87 -55.8 29.74 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 10.6 mt-30 -51.09 -43.73 61.11 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.708 0.289 . . . . 0.0 110.662 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -59.53 -40.99 88.98 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.47 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -61.02 -54.15 48.38 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -54.75 -49.24 71.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.637 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.2 -44.73 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.539 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.588 -179.908 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 . . . . . 0 C--O 1.232 0.182 0 CA-C-O 120.581 0.229 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -60.41 -19.45 56.09 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.167 179.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -68.9 -45.2 71.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.967 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mm -56.41 -56.71 12.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.283 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.93 -36.07 67.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.029 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -60.98 -76.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.789 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.9 -34.44 20.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.034 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -58.48 -58.68 7.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.656 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.45 -47.09 86.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.29 -51.9 67.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.33 67.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -61.71 -40.01 93.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.69 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -63.37 -55.07 27.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.155 0.502 . . . . 0.0 109.777 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.19 -27.38 61.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.421 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -84.43 -29.78 25.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.24 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -74.61 -75.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.379 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.45 ' C ' HG12 ' A' ' 21' ' ' VAL . . . -101.23 -77.13 1.24 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 ' C ' ' A' ' 20' ' ' GLY . 2.1 p 162.2 97.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.52 -170.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.783 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 m -95.42 147.05 23.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -51.82 -42.21 62.35 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.515 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -58.18 -50.96 71.71 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.18 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -61.76 -41.89 98.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.65 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -56.39 -39.31 72.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.774 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.1 91.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.692 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.29 -50.55 72.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.011 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -50.92 -38.86 52.64 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.789 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -56.63 -41.11 76.57 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.448 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -59.74 -55.64 31.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.58 -52.82 63.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.713 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.67 -49.45 62.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 -179.854 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.506 ' N ' HD22 ' A' ' 4' ' ' ASN . 0.0 OUTLIER . . . . . 0 CA--C 1.53 0.191 0 CA-C-O 120.513 0.196 . . . . 0.0 110.609 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.51 -18.86 3.1 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.352 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . 0.495 ' CG ' HD21 ' A' ' 4' ' ' ASN . 26.6 mmtm -67.4 -42.22 83.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.805 0.336 . . . . 0.0 110.49 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.7 mm -55.33 -51.03 60.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.35 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.503 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -59.29 -36.86 76.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.89 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -61.69 -53.98 48.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.916 0.389 . . . . 0.0 110.661 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -55.14 -60.85 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.738 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -58.35 -29.96 66.38 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.4 -66.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.567 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pp -61.09 -26.25 67.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.06 -70.94 0.1 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.302 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.98 82.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.596 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -61.66 -61.54 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.77 -18.24 30.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.159 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -67.62 0.47 Allowed 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.013 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.42 -5.15 46.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.611 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.37 -75.49 1.17 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 p -172.56 100.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 22' ' ' ILE . 7.0 tp -85.46 118.38 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 m -107.42 144.91 33.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.255 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -48.84 -30.7 6.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -59.86 -65.49 0.67 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.36 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -65.73 -40.07 91.8 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.227 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -53.76 -42.69 68.49 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.16 93.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.863 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.75 -69.53 0.17 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.715 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -40.38 36.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -57.11 -43.44 82.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.876 0.37 . . . . 0.0 110.244 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -60.48 -63.06 1.43 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.267 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.41 -39.66 70.47 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -57.36 -49.81 74.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.554 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 -179.942 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.576 ' N ' HD22 ' A' ' 4' ' ' ASN . 1.1 m120 . . . . . 0 C--O 1.233 0.216 0 CA-C-O 120.926 0.393 . . . . 0.0 110.485 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 -30.5 48.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.83 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -69.23 -57.23 5.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.541 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.4 mt -54.56 -46.78 72.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.174 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.47 -43.97 72.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.262 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -62.13 -47.45 84.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.388 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.2 mt -56.59 -62.7 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.989 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -59.3 -28.97 67.26 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.614 -178.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.448 ' N ' HD22 ' A' ' 11' ' ' ASN . 88.0 tt0 -60.02 -49.06 79.14 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.1 -52.32 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.444 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.53 -36.16 71.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.76 89.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -61.5 -51.94 66.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.55 -17.21 19.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.756 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -88.83 -48.31 7.57 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.237 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.33 44.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.923 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.5 -76.93 1.13 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.582 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.6 p 176.97 -44.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 121.342 -0.143 . . . . 0.0 110.712 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 21' ' ' VAL . 12.2 tt 118.86 165.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 124.462 1.101 . . . . 0.0 110.185 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.5 p -141.36 153.29 45.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.051 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -49.09 -41.84 36.96 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.477 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -61.07 -49.5 77.1 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.722 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.74 -39.46 94.19 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -52.04 -50.63 61.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.82 91.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -57.31 -54.57 45.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.973 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.75 -50.61 24.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -59.38 -37.69 78.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.682 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -59.19 -58.09 10.17 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.5 mt -56.51 -37.51 70.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.704 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -66.03 -39.36 90.11 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.685 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? . . . . . 0 C--N 1.331 -0.198 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.908 179.655 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . 0.524 ' N ' HD22 ' A' ' 4' ' ' ASN . 1.6 m120 . . . . . 0 CA--C 1.53 0.185 0 CA-C-O 120.847 0.356 . . . . 0.0 110.572 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.78 -34.42 58.0 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.934 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -67.49 -52.86 34.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.113 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.565 HD12 ' H ' ' A' ' 7' ' ' ILE . 2.7 mp -56.15 -52.63 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.303 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.5 -45.01 73.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.345 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -60.47 -75.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.765 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.9 mt -49.45 -38.94 13.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.236 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 30.1 t30 -59.95 -54.08 50.34 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.662 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.34 -52.41 65.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.74 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.3 tt -60.0 -54.44 46.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.751 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.47 -57.08 11.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.7 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -61.32 -62.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.78 -18.93 24.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.214 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -75.74 -63.43 1.3 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.328 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.83 -6.72 48.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.476 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.52 -70.64 0.92 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 p -174.12 100.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.933 0.397 . . . . 0.0 110.146 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -92.32 136.24 25.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 p -139.18 161.29 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.977 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -50.7 -35.42 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.438 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -59.75 -47.47 85.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.744 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -61.73 -53.8 51.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.447 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -52.8 -37.67 60.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.63 76.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.291 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -57.48 -57.24 13.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.65 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -50.62 -45.25 57.5 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -57.63 -37.73 73.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.687 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.93 -50.98 71.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.296 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.2 -62.04 1.99 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 34' ' ' ARG . 35.5 mtt85 -46.47 -52.13 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.16 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.676 179.829 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 . . . . . 0 C--O 1.232 0.172 0 N-CA-C 110.616 -0.142 . . . . 0.0 110.616 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.43 -26.06 3.01 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.124 0.487 . . . . 0.0 110.239 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -69.61 -49.56 52.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.339 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.7 mt -54.07 -48.87 64.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.077 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.56 -39.0 72.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.344 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -62.34 -75.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.507 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.9 mt -46.55 -42.27 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.716 0.293 . . . . 0.0 110.684 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -59.44 -66.62 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.537 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.36 -41.73 94.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.244 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.8 tt -57.55 -56.7 18.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.91 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.427 ' CA ' HE22 ' A' ' 30' ' ' GLN . . . -52.19 -52.58 51.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.08 98.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.322 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -64.34 -62.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -20.26 16.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.262 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -75.25 -68.39 0.56 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.95 -4.0 35.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.65 -75.89 1.15 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p 176.74 100.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.65 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 tt -94.83 137.29 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.342 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.3 p -115.75 171.67 7.61 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.705 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -50.77 -44.83 58.81 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.78 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.16 -54.69 44.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.642 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.71 -53.07 60.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.978 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -53.08 -48.69 67.55 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.01 81.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.662 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.3 -63.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.427 HE22 ' CA ' ' A' ' 14' ' ' ALA . 2.1 mt-30 -49.5 -26.99 3.82 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.076 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -55.35 -54.48 43.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -59.76 -60.99 2.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.407 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.0 mt -53.52 -64.43 0.82 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.076 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -47.42 -42.26 21.82 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.181 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 . . . . . 0 C--N 1.332 -0.169 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.411 179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 CA--C 1.529 0.15 0 N-CA-C 110.052 -0.351 . . . . 0.0 110.052 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.17 -22.68 0.25 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.253 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -68.97 -72.9 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.4 mp -56.04 -38.9 55.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.529 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.19 80.41 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.538 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -60.48 -69.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.613 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.414 ' H ' HG23 ' A' ' 10' ' ' ILE . 2.0 pt -53.41 -36.3 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.209 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -61.95 -62.02 2.08 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 110.34 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -57.19 -48.06 79.69 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.438 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -56.99 -51.59 68.65 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.142 179.755 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.66 -56.12 22.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.35 97.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 51.3 tttm -64.18 -60.84 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.397 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.11 -16.28 7.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.135 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -83.37 -67.49 0.79 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.186 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.52 -1.8 22.97 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.611 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -101.39 -76.34 1.19 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 20' ' ' GLY . 2.7 m -161.34 91.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.458 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 22' ' ' ILE . 3.4 tp -82.39 129.03 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.135 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 m -135.48 154.83 51.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 25' ' ' GLU . 10.6 pt-20 -45.75 -40.28 9.28 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.345 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.45 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 23.3 mt-10 -59.05 -55.78 30.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.659 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.35 -38.51 91.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -53.13 -44.56 67.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.169 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.32 -50.84 72.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.87 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.515 ' OE2' HD21 ' A' ' 33' ' ' LEU . 2.5 tm-20 -57.89 -67.38 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.852 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.21 -21.11 1.21 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.139 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -56.24 -46.9 79.39 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.405 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -59.65 -68.43 0.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.613 ' H ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.37 -39.57 46.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.498 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.7 ttp85 -61.55 -46.14 91.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.017 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 . . . . . 0 C--N 1.331 -0.229 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.371 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 . . . . . 0 C--O 1.233 0.195 0 CA-C-O 120.841 0.353 . . . . 0.0 111.26 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -6.96 5.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -65.0 -56.04 15.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.12 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.7 mp -57.41 -43.55 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.879 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.05 -40.22 76.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -61.86 -74.11 0.09 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.587 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.2 mt -46.83 -39.4 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -58.67 -60.95 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.204 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -44.51 97.06 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.808 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt -58.31 -48.53 80.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.7 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.48 -61.46 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.021 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.15 77.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.196 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.43 -66.71 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.35 -20.59 44.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -85.12 -66.46 0.89 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.14 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.46 -4.59 34.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.575 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.68 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.46 -76.55 1.23 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 20' ' ' GLY . 1.4 m -164.52 90.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 22' ' ' ILE . 3.9 tp -68.03 124.11 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.956 0.408 . . . . 0.0 110.504 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -112.95 148.9 34.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.573 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -50.95 -41.66 59.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.328 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.66 -50.19 74.83 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.389 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -62.68 -37.67 87.34 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.123 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -53.88 -45.58 71.08 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.108 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.12 99.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.259 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.26 -62.86 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.44 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.27 -25.93 4.24 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.431 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -54.82 -55.71 27.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.049 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -60.55 -56.97 14.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.04 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.4 mt -55.0 -48.8 72.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -59.38 -42.26 91.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.837 0.351 . . . . 0.0 110.459 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 . . . . . 0 C--O 1.233 0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.124 179.915 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 ptp . . . . . 0 N--CA 1.492 1.658 0 N-CA-C 109.565 -0.532 . . . . 0.0 109.565 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 50.4 mm -73.42 149.62 8.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.588 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.404 ' HA ' HD13 ' A' ' 7' ' ' ILE . 94.1 p -170.27 19.85 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.656 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.549 ' ND2' ' H ' ' A' ' 6' ' ' LYS . 3.2 p-10 -77.92 -156.7 0.09 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-N 116.466 -0.333 . . . . 0.0 110.851 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -56.52 -10.97 1.09 Allowed 'General case' 0 N--CA 1.462 0.17 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.449 -179.519 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.549 ' H ' ' ND2' ' A' ' 4' ' ' ASN . 19.7 ttmt -68.23 -58.75 3.94 Favored 'General case' 0 C--N 1.331 -0.201 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.474 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.8 mp -55.92 -46.28 80.27 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.125 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' HA ' HD22 ' A' ' 11' ' ' ASN . . . -59.17 -47.53 84.97 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.964 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.5 tpt180 -60.21 -50.22 74.52 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.895 -179.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 73.5 mt -52.03 -54.41 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.045 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.435 HD22 ' HA ' ' A' ' 8' ' ' ALA . 0.2 OUTLIER -59.75 -40.18 87.28 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.673 -179.579 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 39.5 mm-40 -60.61 -60.06 4.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.722 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.2 tt -58.93 -47.07 86.36 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.887 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.13 -56.68 17.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.05 -179.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.67 -38.2 84.11 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.227 -179.458 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.17 -63.44 1.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.905 0.384 . . . . 0.0 110.056 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.69 -25.91 60.96 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.232 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 41.6 tttm -74.13 -57.79 3.73 Favored 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.514 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.47 -0.96 16.51 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.443 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.32 -76.82 1.25 Allowed Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 20' ' ' GLY . 11.3 m -156.37 -38.78 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.221 0 CA-C-O 120.768 0.318 . . . . 0.0 110.412 179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 69.8 132.21 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.32 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.0 p -131.94 151.24 51.84 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.535 -179.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -49.51 -42.74 44.5 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.5 179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -59.35 -53.13 61.77 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.545 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 40.8 mt-10 -62.34 -52.36 63.94 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.259 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 60.6 tttm -52.56 -39.17 61.19 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.867 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.55 -43.16 99.36 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.716 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.38 -59.54 5.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.507 179.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.427 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 5.2 mt-30 -50.65 -29.5 11.21 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.827 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -57.13 -60.43 3.62 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.146 -179.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.433 ' CG ' ' N ' ' A' ' 33' ' ' LEU . 13.1 pttm -59.0 -40.24 84.3 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.631 -0.259 . . . . 0.0 110.947 -179.489 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.433 ' N ' ' CG ' ' A' ' 32' ' ' LYS . 60.0 mt -57.56 -58.4 8.46 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.864 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -66.34 -41.67 89.23 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.997 -179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -60.81 -39.27 88.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.418 -0.355 . . . . 0.0 110.528 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 -64.72 -54.22 34.88 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.243 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 57.7 t80 -53.67 -45.99 70.48 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.532 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -59.0 -37.68 77.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.691 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 17.5 ttpt -65.68 -31.12 71.95 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.527 -179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.502 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -100.33 -29.04 6.88 Favored Glycine 0 CA--C 1.527 0.809 0 N-CA-C 111.509 -0.636 . . . . 0.0 111.509 -179.48 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.502 ' C ' ' O ' ' A' ' 40' ' ' GLY . 40.7 t80 19.89 -106.85 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 122.789 0.436 . . . . 0.0 111.783 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 37.2 ptt180 . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.778 0.323 . . . . 0.0 110.472 179.802 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 56.2 mtt . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.8 mt -108.71 -70.38 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.45 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.451 ' HA ' HD11 ' A' ' 7' ' ' ILE . 35.0 p 44.74 -113.97 0.38 Allowed 'General case' 0 CA--C 1.532 0.278 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.796 -179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.3 p30 43.12 -159.56 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 120.963 0.411 . . . . 0.0 112.074 179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.07 -5.72 3.34 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.594 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 28.6 tptt -65.71 -38.64 89.77 Favored 'General case' 0 C--N 1.331 -0.221 0 N-CA-C 110.216 -0.29 . . . . 0.0 110.216 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.451 HD11 ' HA ' ' A' ' 3' ' ' SER . 24.7 mm -57.0 -54.46 29.84 Favored 'Isoleucine or valine' 0 C--O 1.234 0.289 0 N-CA-C 109.861 -0.422 . . . . 0.0 109.861 179.338 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.447 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . -59.79 -36.27 76.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.464 179.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.5 ttt180 -59.09 -50.87 72.42 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.441 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 20.3 mt -52.5 -59.84 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.892 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.447 ' ND2' ' HA ' ' A' ' 8' ' ' ALA . 0.3 OUTLIER -61.73 -38.73 89.0 Favored 'General case' 0 CA--C 1.531 0.229 0 CA-C-N 116.4 -0.363 . . . . 0.0 111.07 -179.568 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -59.59 -54.66 43.88 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.993 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.6 tt -55.83 -45.68 78.3 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.611 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.51 -56.53 19.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.746 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.95 -35.8 79.51 Favored 'General case' 0 N--CA 1.463 0.184 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.495 -179.671 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 mmtm -60.83 -64.84 0.82 Allowed 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.83 -20.71 52.99 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.645 -0.707 . . . . 0.0 110.426 179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 34.8 tttp -64.38 -65.42 0.68 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.071 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.56 -2.98 25.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.536 179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.94 -75.56 1.3 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 73.3 t -152.11 -63.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.775 0.321 . . . . 0.0 110.72 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER 69.05 146.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.27 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.321 -179.236 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -171.22 169.96 6.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.326 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.595 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 9.2 mp0 -48.92 -36.53 17.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.359 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -59.5 -56.8 17.44 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.693 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -64.89 -51.65 60.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.617 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -51.5 -42.37 61.64 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.826 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.86 -44.75 96.6 Favored 'General case' 0 C--N 1.332 -0.192 0 N-CA-C 109.955 -0.387 . . . . 0.0 109.955 179.463 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 25.1 tp10 -57.43 -57.52 12.29 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.216 179.325 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 mt-30 -49.68 -42.89 46.69 Favored 'General case' 0 N--CA 1.463 0.194 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.825 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 -58.1 -41.66 84.03 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.741 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.0 tmtt? -59.73 -51.51 69.45 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.351 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 10.3 mt -56.22 -52.24 65.15 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.073 179.645 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.553 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 14.7 ttm180 -59.71 -42.25 92.64 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.208 179.424 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 25.4 tt0 -58.7 -29.31 66.56 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -65.28 -63.53 1.08 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.116 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 34' ' ' ARG . 0.6 OUTLIER -56.5 -51.17 69.49 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-O 121.062 0.458 . . . . 0.0 110.732 179.858 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -53.93 -65.07 0.63 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.399 -0.819 . . . . 0.0 111.435 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 27.7 mmtm -65.26 -12.72 54.46 Favored 'General case' 0 N--CA 1.462 0.172 0 C-N-CA 120.936 -0.306 . . . . 0.0 110.778 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -83.93 -4.72 88.43 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.067 -0.813 . . . . 0.0 111.067 179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -62.16 133.55 55.38 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-O 120.607 0.241 . . . . 0.0 110.644 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 4.9 tpp85 . . . . . 0 C--O 1.232 0.173 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.798 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.698 HG21 ' HB3' ' A' ' 5' ' ' ALA . 11.9 tt -71.84 158.33 6.23 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.208 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.509 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.6 p -105.64 30.14 5.99 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.246 179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.444 ' H ' HG23 ' A' ' 2' ' ' ILE . 2.6 t30 -142.45 -68.42 0.36 Allowed 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.551 -179.661 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.698 ' HB3' HG21 ' A' ' 2' ' ' ILE . . . -61.06 -20.63 62.8 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.018 -179.789 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 12.7 mmtm -68.02 -32.58 73.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.906 0.384 . . . . 0.0 110.168 179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 50.5 mt -57.01 -64.41 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.562 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.3 -33.17 65.3 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.144 -179.654 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 14.1 mmt180 -60.1 -75.91 0.05 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.713 0.292 . . . . 0.0 110.616 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.4 mt -52.87 -39.19 30.7 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.213 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 -179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 29.0 t30 -59.17 -61.35 2.7 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.992 -179.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -58.66 -40.62 83.98 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.714 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.6 HD23 ' O ' ' A' ' 13' ' ' LEU . 4.2 tt -59.46 -47.72 84.39 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.29 179.766 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.15 -43.22 78.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.635 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.85 -34.3 77.06 Favored 'General case' 0 C--N 1.333 -0.14 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.115 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.418 ' O ' ' N ' ' A' ' 20' ' ' GLY . 2.2 mmmt -62.13 -63.27 1.3 Allowed 'General case' 0 C--N 1.331 -0.203 0 N-CA-C 110.002 -0.37 . . . . 0.0 110.002 179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.716 ' HB1' ' HA ' ' A' ' 22' ' ' ILE . . . -60.76 -21.22 62.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.389 179.406 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 31.2 ttmt -60.72 -69.5 0.22 Allowed 'General case' 0 C--N 1.333 -0.141 0 N-CA-C 109.103 -0.702 . . . . 0.0 109.103 179.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -80.51 -8.9 59.74 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.316 178.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.579 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -100.61 5.29 56.86 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.579 HG23 ' C ' ' A' ' 20' ' ' GLY . 1.5 t 67.05 99.17 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.869 0.366 . . . . 0.0 110.677 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.716 ' HA ' ' HB1' ' A' ' 17' ' ' ALA . 2.1 tt -58.02 144.65 10.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.53 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 5.5 p -109.73 156.3 20.46 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.517 -179.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 62.8 mt-10 -52.24 -49.1 64.68 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.25 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.7 mm-40 -60.37 -41.83 94.53 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.432 179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -63.75 -46.58 84.7 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.323 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 ttmm -52.36 -47.44 66.13 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.513 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.31 -38.51 87.1 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.26 179.613 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 -57.27 -59.25 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.281 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.548 HE21 HD22 ' A' ' 13' ' ' LEU . 3.9 mt-30 -50.52 -35.56 30.01 Favored 'General case' 0 N--CA 1.463 0.183 0 CA-C-N 115.925 -0.58 . . . . 0.0 110.965 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 10.3 tt0 -57.53 -51.23 70.31 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.951 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 76.3 tttt -58.76 -51.53 69.58 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.488 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.6 mt -56.21 -40.12 73.54 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.63 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 28.1 mtp180 -70.9 -34.57 71.69 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.964 -179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -59.86 -49.69 76.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.688 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -64.51 -43.61 93.52 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.333 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -54.28 -50.2 67.83 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.748 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -57.81 -43.23 85.57 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.579 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 51.9 tttm -65.21 -30.08 70.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.546 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -88.85 0.71 82.68 Favored Glycine 0 CA--C 1.526 0.73 0 N-CA-C 111.243 -0.743 . . . . 0.0 111.243 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 29.3 t80 -66.42 -77.02 0.07 Allowed 'General case' 0 CA--C 1.53 0.196 0 CA-C-O 120.488 0.185 . . . . 0.0 111.054 -179.701 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 . . . . . 0 CA--C 1.533 0.31 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.388 -179.286 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mtt . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.139 -0.689 . . . . 0.0 109.139 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.3 tt -133.44 -17.99 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.244 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 m 73.4 -45.13 0.6 Allowed 'General case' 0 N--CA 1.464 0.251 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.339 -179.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.41 109.05 1.23 Allowed 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.532 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -62.99 -6.4 3.85 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.396 179.579 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.526 ' H ' ' HD2' ' A' ' 6' ' ' LYS . 0.0 OUTLIER -68.13 -60.66 2.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.585 -179.883 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.442 HD12 ' H ' ' A' ' 7' ' ' ILE . 2.2 mp -55.85 -50.88 65.82 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.496 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.59 -43.65 76.21 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.64 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.4 tpp85 -61.67 -68.34 0.33 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.551 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 57.5 mt -52.26 -42.22 36.26 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.194 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.146 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 23.6 t30 -58.32 -51.42 69.87 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.622 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.1 tm-20 -58.55 -45.41 89.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.224 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.3 tt -59.95 -50.73 72.59 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.882 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.59 -57.25 11.41 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.049 -0.523 . . . . 0.0 111.374 -179.398 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.96 -37.15 83.68 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.32 -179.37 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 tttp -62.07 -59.03 5.66 Favored 'General case' 0 C--N 1.331 -0.233 0 N-CA-C 109.836 -0.431 . . . . 0.0 109.836 179.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.82 -26.13 57.52 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.772 179.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 4.6 tmtt? -63.23 -62.74 1.49 Allowed 'General case' 0 C--O 1.232 0.15 0 N-CA-C 109.722 -0.473 . . . . 0.0 109.722 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -72.68 0.17 11.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.481 179.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.468 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -99.55 -76.11 1.22 Allowed Glycine 0 CA--C 1.525 0.702 0 N-CA-C 110.911 -0.876 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.468 HG13 ' O ' ' A' ' 20' ' ' GLY . 3.6 m -156.61 -36.79 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.193 0 CA-C-O 120.405 0.145 . . . . 0.0 110.624 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.0 tp 41.41 97.45 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 CA-C-O 121.509 0.671 . . . . 0.0 111.436 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 61.2 p -108.84 161.59 14.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.565 -0.743 . . . . 0.0 110.744 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -52.61 -41.99 64.18 Favored 'General case' 0 N--CA 1.462 0.158 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.466 179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -54.99 -55.28 32.57 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.631 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -63.66 -45.91 87.98 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.372 179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 29.2 ttmt -54.16 -44.33 71.38 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.789 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -40.83 95.44 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.725 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -58.41 -68.31 0.27 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.877 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -50.91 -35.42 33.0 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.198 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 41.1 tt0 -58.88 -38.9 79.86 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.699 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -60.4 -49.68 76.61 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.489 179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 33' ' ' LEU . 81.7 mt -55.41 -45.96 76.67 Favored 'General case' 0 C--O 1.232 0.167 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.5 tpt180 -53.35 -55.77 22.13 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.469 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.8 tt0 -63.59 -38.03 89.59 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.095 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 17.0 tt0 -64.21 -44.8 90.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.033 -179.439 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -53.47 -33.58 54.78 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.133 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 21.9 mt -58.59 -50.81 72.45 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.582 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.6 ttpm? -65.19 -35.41 80.98 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.345 -0.389 . . . . 0.0 109.974 179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.34 5.49 67.63 Favored Glycine 0 CA--C 1.526 0.748 0 N-CA-C 110.81 -0.916 . . . . 0.0 110.81 179.661 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 10.1 t80 -172.63 93.87 0.12 Allowed 'General case' 0 C--O 1.232 0.181 0 CA-C-O 120.744 0.307 . . . . 0.0 110.328 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 22.3 ttt180 . . . . . 0 C--N 1.332 -0.159 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.133 -179.732 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 mmt . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.0 mm -76.05 148.85 6.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.32 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.404 ' C ' ' H ' ' A' ' 5' ' ' ALA . 41.4 m -156.8 14.51 0.28 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.359 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.431 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 1.3 m120 66.37 0.09 1.64 Allowed 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.488 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.404 ' H ' ' C ' ' A' ' 3' ' ' SER . . . -82.3 -27.04 32.55 Favored 'General case' 0 C--O 1.232 0.158 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.289 179.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 21.6 tttm -68.04 -46.15 71.92 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.885 179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 91.2 mt -55.6 -51.55 57.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.098 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.87 -40.29 79.84 Favored 'General case' 0 C--N 1.334 -0.1 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.965 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.5 ttm-85 -60.17 -74.3 0.08 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.713 -179.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 11.3 mt -49.54 -41.25 15.7 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.196 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.857 -179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.7 t30 -60.73 -58.85 6.7 Favored 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.098 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.59 -39.91 81.7 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.757 -179.64 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.561 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt -60.87 -45.35 94.89 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.339 179.753 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.6 -52.04 63.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.294 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.03 -34.21 77.08 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.366 179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.411 ' O ' ' N ' ' A' ' 20' ' ' GLY . 26.0 ttmt -61.37 -62.23 1.98 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.971 -0.559 . . . . 0.0 109.779 179.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.09 -18.02 43.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.707 -0.678 . . . . 0.0 110.444 179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -64.18 -67.76 0.41 Allowed 'General case' 0 C--N 1.333 -0.136 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 178.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -78.37 -6.33 54.86 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.824 -0.625 . . . . 0.0 109.649 178.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.581 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -99.49 -3.71 56.29 Favored Glycine 0 CA--C 1.524 0.627 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -179.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.581 HG23 ' C ' ' A' ' 20' ' ' GLY . 1.5 t 67.41 94.59 0.05 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.141 0 CA-C-O 121.133 0.492 . . . . 0.0 110.659 179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.6 tp -51.99 135.46 12.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.463 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.1 p -112.95 154.27 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.076 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.517 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 24.5 mp0 -49.03 -40.8 32.6 Favored 'General case' 0 C--N 1.331 -0.225 0 N-CA-C 109.818 -0.438 . . . . 0.0 109.818 179.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -60.36 -50.82 72.1 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 115.621 -0.718 . . . . 0.0 110.395 179.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -63.59 -47.27 82.15 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.662 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -50.62 -45.13 57.46 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.544 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.7 -42.49 99.01 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.073 179.429 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -58.77 -56.98 15.26 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.874 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -48.79 -38.25 21.48 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.358 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -55.89 -39.61 71.81 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.885 -179.611 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -59.81 -53.97 51.71 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.715 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 28.2 mt -56.73 -49.88 73.87 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.858 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -58.24 -38.54 77.07 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.353 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -60.96 -41.26 95.99 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.213 179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -66.52 -41.39 88.89 Favored 'General case' 0 C--O 1.233 0.197 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.501 179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 25.0 t80 -52.01 -55.13 22.42 Favored 'General case' 0 C--O 1.232 0.147 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.598 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.7 mm? -59.91 -42.58 94.18 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.283 179.829 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.9 tttm -65.46 -16.09 63.29 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.388 179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -92.91 -17.98 42.01 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -62.85 127.23 30.3 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.592 0.234 . . . . 0.0 110.397 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 . . . . . 0 C--N 1.332 -0.155 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.698 -179.789 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.9 tpt . . . . . 0 N--CA 1.492 1.643 0 N-CA-C 109.543 -0.54 . . . . 0.0 109.543 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.528 ' O ' HD13 ' A' ' 2' ' ' ILE . 0.3 OUTLIER -121.55 -44.56 2.15 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 CA-C-N 116.345 -0.388 . . . . 0.0 110.327 179.866 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.489 ' N ' ' CG2' ' A' ' 2' ' ' ILE . 1.7 m 59.77 -138.36 0.69 Allowed 'General case' 0 N--CA 1.464 0.247 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.037 179.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 57.06 -104.42 0.22 Allowed 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.621 -179.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -69.07 -27.72 65.88 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-O 120.705 0.288 . . . . 0.0 110.715 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -68.26 -32.48 72.69 Favored 'General case' 0 C--O 1.231 0.092 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.49 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 93.6 mt -53.87 -62.07 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.333 -0.15 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.078 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.52 -37.27 70.22 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.539 179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.427 HH21 HD13 ' A' ' 33' ' ' LEU . 31.2 ttp85 -62.32 -44.92 95.39 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.803 -0.359 . . . . 0.0 110.294 179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.7 mt -53.45 -63.44 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.53 0.18 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.19 -179.52 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.418 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 9.5 p-10 -61.11 -33.36 73.24 Favored 'General case' 0 N--CA 1.463 0.188 0 C-N-CA 120.778 -0.369 . . . . 0.0 110.922 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -60.24 -47.0 87.83 Favored 'General case' 0 C--O 1.233 0.209 0 CA-C-O 120.742 0.306 . . . . 0.0 110.184 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.681 ' C ' HD13 ' A' ' 13' ' ' LEU . 2.9 tm? -60.05 -46.03 90.89 Favored 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 116.085 -0.507 . . . . 0.0 109.834 179.502 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -52.6 -53.62 44.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.273 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.92 -36.54 83.72 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.971 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.56 -62.15 2.07 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.691 -0.485 . . . . 0.0 109.691 179.66 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.403 ' O ' ' N ' ' A' ' 22' ' ' ILE . . . -58.51 -22.45 55.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.235 179.183 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.1 tptt -71.46 -67.27 0.53 Allowed 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.816 -0.353 . . . . 0.0 110.862 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.68 -6.36 46.32 Favored 'General case' 0 C--O 1.232 0.17 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.032 -179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.85 -75.67 1.16 Allowed Glycine 0 CA--C 1.522 0.493 0 N-CA-C 110.425 -1.07 . . . . 0.0 110.425 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p -177.2 100.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.694 -0.484 . . . . 0.0 109.694 179.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.403 ' N ' ' O ' ' A' ' 17' ' ' ALA . 4.1 tt -89.91 138.87 18.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.778 -179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.0 p -135.97 165.53 25.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.923 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 -49.23 -35.83 18.47 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.606 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -60.21 -62.13 2.09 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.3 mm-40 -64.38 -42.47 96.13 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.806 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 17.8 ttmt -54.73 -43.49 72.69 Favored 'General case' 0 N--CA 1.463 0.181 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.779 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.2 -38.91 92.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.86 0.362 . . . . 0.0 110.268 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -58.39 -64.67 0.84 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.123 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 3.5 pt20 -49.02 -38.7 24.35 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.166 -179.518 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 57.6 tt0 -58.67 -47.49 84.31 Favored 'General case' 0 C--O 1.232 0.153 0 CA-C-N 116.585 -0.28 . . . . 0.0 110.733 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -60.45 -58.5 8.24 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.041 179.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.427 HD13 HH21 ' A' ' 9' ' ' ARG . 82.2 mt -55.79 -37.99 69.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.774 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 11.5 mmt180 -58.7 -41.78 87.1 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.374 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 27.2 tt0 -62.39 -40.14 95.52 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.41 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.1 tp10 -65.63 -43.45 89.48 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.595 179.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -52.38 -38.51 59.06 Favored 'General case' 0 CA--C 1.529 0.152 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.213 -179.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.5 mt -57.34 -61.02 2.77 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.746 0.308 . . . . 0.0 110.42 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.1 mtpt -66.05 -13.66 60.37 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.617 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.22 -15.18 56.29 Favored Glycine 0 CA--C 1.526 0.722 0 N-CA-C 111.197 -0.761 . . . . 0.0 111.197 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 63.1 t80 -64.2 -87.7 0.01 OUTLIER 'General case' 0 CA--C 1.53 0.209 0 C-N-CA 121.198 -0.201 . . . . 0.0 110.501 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 53.5 ttt85 . . . . . 0 C--O 1.231 0.13 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 179.227 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.5 mtt . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 6.8 mm -117.05 -63.15 2.02 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.152 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.407 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.2 p 47.02 89.1 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 115.978 -0.555 . . . . 0.0 111.352 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.536 ' N ' HD22 ' A' ' 4' ' ' ASN . 0.0 OUTLIER -165.78 -155.26 0.22 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.821 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -55.98 -29.22 59.93 Favored 'General case' 0 N--CA 1.462 0.169 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.158 -179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.426 ' H ' ' ND2' ' A' ' 4' ' ' ASN . 35.1 tttt -68.09 -58.62 4.19 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.69 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 43.0 mm -56.32 -53.29 41.75 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.604 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.13 -34.4 68.35 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.13 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -64.95 -51.43 61.86 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.613 -0.435 . . . . 0.0 110.294 179.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 58.8 mt -51.75 -66.18 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.967 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.402 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 17.5 p-10 -58.02 -46.06 85.9 Favored 'General case' 0 N--CA 1.464 0.273 0 N-CA-C 111.663 0.246 . . . . 0.0 111.663 -178.731 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.5 tt0 -60.19 -62.02 2.17 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.688 0.28 . . . . 0.0 111.094 -179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.458 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -58.61 -45.76 88.48 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.157 -179.334 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.3 -61.69 2.17 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.295 -179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.39 -38.29 80.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.342 -179.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -62.51 -65.78 0.64 Allowed 'General case' 0 C--N 1.332 -0.195 0 CA-C-O 120.887 0.375 . . . . 0.0 110.303 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.518 ' HB1' HG13 ' A' ' 22' ' ' ILE . . . -57.81 -20.64 37.19 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.412 179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 60.1 tttm -79.18 -52.68 7.84 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.359 179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.22 -2.66 22.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.025 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.53 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -98.81 -76.89 1.29 Allowed Glycine 0 CA--C 1.524 0.652 0 N-CA-C 110.895 -0.882 . . . . 0.0 110.895 179.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 20' ' ' GLY . 8.0 m -159.67 -45.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.285 0 CA-C-O 120.904 0.383 . . . . 0.0 110.535 179.641 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.518 HG13 ' HB1' ' A' ' 17' ' ' ALA . 0.2 OUTLIER 67.99 122.63 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.061 -179.073 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 16.9 p -123.78 170.36 10.61 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.284 -179.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 9.0 mt-10 -50.72 -43.22 57.91 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.521 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.445 ' H ' ' CD ' ' A' ' 25' ' ' GLU . 4.8 mp0 -59.51 -50.67 73.02 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.591 179.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -64.67 -52.19 58.55 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.412 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -53.95 -42.67 69.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.9 -41.62 96.41 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.504 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.31 -61.2 2.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.493 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -48.86 -36.98 18.2 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.312 -179.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -56.13 -45.07 79.69 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.2 -179.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.7 tptt -58.82 -60.47 3.79 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.001 -179.518 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 11.9 mt -58.26 -56.02 27.49 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.317 -179.638 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.2 mtp180 -49.98 -41.9 47.81 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.101 -179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 10.3 tm0? -61.29 -42.53 98.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.639 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 12.3 tt0 -65.6 -38.01 88.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.669 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -52.73 -36.25 57.34 Favored 'General case' 0 C--O 1.233 0.207 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.45 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 mt -59.79 -36.18 76.18 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.426 179.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.7 tttp -66.65 -47.61 71.98 Favored 'General case' 0 C--O 1.233 0.188 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.318 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.14 -0.66 57.54 Favored Glycine 0 CA--C 1.527 0.817 0 N-CA-C 111.411 -0.676 . . . . 0.0 111.411 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 80.0 t80 -62.04 138.74 58.42 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 120.616 0.245 . . . . 0.0 110.552 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 60.9 mtp180 . . . . . 0 C--N 1.331 -0.225 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.414 179.793 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.9 ptp . . . . . 0 N--CA 1.491 1.605 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.762 HG23 ' H ' ' A' ' 4' ' ' ASN . 14.7 tt -162.02 -13.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.401 -179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 70.54 20.16 5.95 Favored 'General case' 0 N--CA 1.462 0.153 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.323 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.762 ' H ' HG23 ' A' ' 2' ' ' ILE . 0.9 OUTLIER -153.04 -79.01 0.1 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.323 -179.852 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.598 ' HB3' HG21 ' A' ' 2' ' ' ILE . . . -60.45 -18.24 49.99 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.71 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -68.8 -47.22 66.66 Favored 'General case' 0 C--N 1.333 -0.137 0 CA-C-N 116.209 -0.45 . . . . 0.0 109.926 179.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.413 ' O ' ' OD1' ' A' ' 11' ' ' ASN . 33.0 mt -55.66 -54.28 27.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.084 179.548 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.0 -34.82 66.15 Favored 'General case' 0 C--O 1.23 0.076 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.735 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 54.6 ttt180 -63.71 -46.47 85.27 Favored 'General case' 0 C--N 1.331 -0.227 0 C-N-CA 120.635 -0.426 . . . . 0.0 110.125 179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 94.0 mt -51.52 -64.37 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.529 0.164 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.046 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 11' ' ' ASN . 5.8 p-10 -60.31 -38.23 83.04 Favored 'General case' 0 N--CA 1.465 0.29 0 C-N-CA 120.918 -0.313 . . . . 0.0 110.792 -179.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -61.31 -52.99 62.38 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.552 -0.295 . . . . 0.0 110.393 179.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.472 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.1 tt -59.33 -41.48 89.22 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.394 179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.02 -52.56 62.78 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.091 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.7 92.22 Favored 'General case' 0 C--O 1.232 0.165 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.26 179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 72.4 tttt -61.11 -61.33 2.64 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 115.87 -0.604 . . . . 0.0 109.683 179.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.402 ' O ' ' N ' ' A' ' 21' ' ' VAL . . . -58.07 -20.2 37.74 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.125 179.058 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 47.5 tttt -60.6 -66.39 0.54 Allowed 'General case' 0 C--O 1.232 0.166 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 178.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.61 -7.18 55.99 Favored 'General case' 0 CA--C 1.531 0.218 0 CA-C-N 115.775 -0.648 . . . . 0.0 109.462 177.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.637 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -100.4 5.16 57.14 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 110.888 -0.885 . . . . 0.0 110.888 179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.637 HG23 ' C ' ' A' ' 20' ' ' GLY . 1.9 t 74.61 -65.07 0.21 Allowed 'Isoleucine or valine' 0 CA--C 1.52 -0.2 0 C-N-CA 122.621 0.368 . . . . 0.0 110.57 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.604 HG22 ' O ' ' A' ' 21' ' ' VAL . 3.7 tp 129.34 138.59 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 O-C-N 124.676 1.235 . . . . 0.0 109.532 -179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.5 p -107.35 152.04 24.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.173 179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.443 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 6.2 mp0 -50.62 -46.26 58.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.377 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 13.2 mt-10 -60.54 -48.53 81.35 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.809 179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 92.2 mt-10 -63.91 -50.07 70.17 Favored 'General case' 0 N--CA 1.462 0.175 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.041 -179.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 44.9 tttt -50.26 -48.87 54.58 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.756 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.49 -47.44 86.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.342 179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -58.59 -57.66 11.97 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.373 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.8 mm100 -48.47 -33.54 9.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.555 -0.748 . . . . 0.0 111.716 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 -55.58 -55.26 34.03 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-O 120.7 0.286 . . . . 0.0 110.954 -179.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -61.08 -54.8 40.16 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.649 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 19.0 mt -54.67 -37.15 65.4 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.378 -0.373 . . . . 0.0 111.299 -179.399 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 31.2 ttt85 -70.46 -60.11 2.46 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.205 -179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 2.6 pp0? -61.75 -29.88 70.41 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.032 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.5 tm-20 -65.76 -47.06 76.5 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.426 179.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.5 t80 -50.8 -38.9 51.22 Favored 'General case' 0 C--O 1.232 0.156 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.799 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 24.9 mt -56.8 -60.31 3.74 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.144 179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.406 ' CD ' ' N ' ' A' ' 39' ' ' LYS . 5.9 mptt -66.36 -14.92 62.81 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.341 179.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -91.43 -9.1 63.52 Favored Glycine 0 CA--C 1.528 0.863 0 N-CA-C 111.292 -0.723 . . . . 0.0 111.292 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -62.11 119.38 8.83 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-O 120.74 0.305 . . . . 0.0 110.426 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 38.8 mtp180 . . . . . 0 C--N 1.331 -0.207 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.458 -179.881 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.4 mpt? . . . . . 0 N--CA 1.492 1.659 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 33.5 mt -78.25 139.64 18.22 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.231 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.623 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 t -173.19 65.68 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.348 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.463 ' N ' ' ND2' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -171.85 -113.8 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.22 -179.822 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 4' ' ' ASN . . . -30.77 -57.43 0.21 Allowed 'General case' 0 N--CA 1.466 0.351 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.2 mtpt -69.28 -66.34 0.59 Allowed 'General case' 0 CA--C 1.531 0.228 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 -178.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.469 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.9 mp -52.84 -49.84 45.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.314 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.435 -178.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.82 -40.39 72.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.664 0.268 . . . . 0.0 111.018 -179.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 31.1 ttm105 -61.13 -73.81 0.09 Allowed 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.786 -0.366 . . . . 0.0 110.281 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.4 mt -47.53 -34.7 3.71 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.241 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.074 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.3 t30 -59.01 -70.08 0.17 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.565 -179.851 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -61.22 -35.06 76.19 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.053 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.587 HD23 ' C ' ' A' ' 13' ' ' LEU . 5.5 tt -58.71 -65.64 0.63 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.8 -179.614 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.62 -41.79 73.99 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.925 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.55 -37.24 83.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.46 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.8 tptp -60.28 -64.59 0.9 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.097 -0.502 . . . . 0.0 109.841 179.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.501 ' HB1' ' HA ' ' A' ' 22' ' ' ILE . . . -59.61 -21.51 60.51 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.661 -0.7 . . . . 0.0 110.542 179.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -60.51 -68.74 0.27 Allowed 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 108.948 -0.76 . . . . 0.0 108.948 179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.87 -9.33 58.61 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.947 -0.569 . . . . 0.0 109.886 178.527 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.616 ' C ' HG23 ' A' ' 21' ' ' VAL . . . -100.02 6.56 58.4 Favored Glycine 0 CA--C 1.524 0.636 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 -179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.616 HG23 ' C ' ' A' ' 20' ' ' GLY . 2.0 t 74.39 99.45 0.04 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-O 121.008 0.432 . . . . 0.0 110.351 -179.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.501 ' HA ' ' HB1' ' A' ' 17' ' ' ALA . 16.2 tt -81.88 142.42 13.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.594 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.2 p -115.6 160.16 20.35 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.655 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 24' ' ' GLU . 4.5 mp0 -52.47 -33.54 45.06 Favored 'General case' 0 C--O 1.232 0.169 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.17 179.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -59.22 -47.27 85.95 Favored 'General case' 0 N--CA 1.462 0.164 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.812 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -63.65 -42.04 98.15 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.409 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.5 mmtt -53.5 -43.48 68.3 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.461 179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.61 -45.95 91.9 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.612 179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 21.3 tt0 -57.34 -63.48 1.21 Allowed 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.75 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -50.03 -30.33 10.53 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.435 -179.724 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -58.55 -37.88 76.62 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-O 120.796 0.331 . . . . 0.0 110.865 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -59.46 -62.03 2.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.943 -179.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.6 mt -54.95 -41.81 71.55 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.683 -179.852 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 18.1 ttt-85 -61.21 -43.66 98.52 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.701 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -61.33 -42.24 98.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.692 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.4 tp10 -64.84 -43.95 91.38 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.474 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 73.9 t80 -51.2 -49.83 60.26 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.378 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD13 ' HA ' ' A' ' 38' ' ' LEU . 2.3 mm? -59.82 -43.26 94.62 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.367 179.444 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.5 mttp -64.98 -18.48 65.32 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.314 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -96.22 -19.12 29.13 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 110.485 -1.046 . . . . 0.0 110.485 179.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -64.32 98.88 0.25 Allowed 'General case' 0 C--O 1.233 0.197 0 CA-C-O 120.903 0.382 . . . . 0.0 110.573 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 . . . . . 0 C--N 1.33 -0.241 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.423 -179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.494 1.768 0 N-CA-C 109.44 -0.578 . . . . 0.0 109.44 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 1.5 mt -101.62 -53.78 7.28 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.196 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 63.0 m 41.05 80.06 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 116.079 -0.51 . . . . 0.0 111.324 179.682 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 47.6 p-10 -154.91 -142.81 0.12 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.943 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -67.98 -28.64 67.61 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.57 -0.286 . . . . 0.0 110.81 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -66.01 -58.38 5.64 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.215 -0.448 . . . . 0.0 109.992 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.524 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.7 mp -57.26 -42.75 80.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 N-CA-C 110.03 -0.359 . . . . 0.0 110.03 179.333 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.04 -32.04 61.56 Favored 'General case' 0 N--CA 1.461 0.079 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.075 179.654 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.0 ttm180 -67.1 -58.37 5.03 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.388 178.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 17.4 mt -54.18 -61.73 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.451 0 CA-C-N 115.735 -0.666 . . . . 0.0 112.649 -178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 p-10 -55.46 -39.89 70.92 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 121.074 -0.25 . . . . 0.0 111.137 -178.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.71 -50.36 72.74 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 179.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.45 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.0 OUTLIER -61.13 -45.33 95.12 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.169 179.524 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.23 -47.15 75.79 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.347 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.86 -37.38 84.3 Favored 'General case' 0 C--O 1.232 0.142 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.553 179.615 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 20' ' ' GLY . 62.0 mttt -62.55 -62.65 1.6 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.124 179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.57 -18.07 50.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.514 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -72.29 -69.15 0.42 Allowed 'General case' 0 C--O 1.231 0.121 0 C-N-CA 120.394 -0.522 . . . . 0.0 109.811 179.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -77.73 -6.05 52.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.657 179.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 16' ' ' LYS . . . -100.98 -29.88 6.28 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 111.136 -0.785 . . . . 0.0 111.136 -179.843 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 35.3 t 49.32 76.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-O 121.056 0.455 . . . . 0.0 110.199 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 25.6 pt -87.85 -130.46 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.716 -179.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.565 HG22 ' H ' ' A' ' 25' ' ' GLU . 32.1 m -107.68 141.35 39.32 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.751 0.31 . . . . 0.0 110.655 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -53.22 -28.09 25.3 Favored 'General case' 0 N--CA 1.463 0.206 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.222 -179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.565 ' H ' HG22 ' A' ' 23' ' ' THR . 20.4 tp10 -57.07 -50.59 72.3 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.193 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.02 -47.67 76.63 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.333 179.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 82.0 mttt -55.21 -42.67 73.63 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.572 179.694 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.06 -40.1 88.3 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.504 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 73.1 tt0 -59.42 -70.37 0.16 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.438 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.4 pt20 -52.93 -31.54 40.72 Favored 'General case' 0 CA--C 1.532 0.25 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.472 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -56.68 -37.45 70.88 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-N 116.471 -0.332 . . . . 0.0 111.053 -179.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -58.37 -57.88 10.97 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.883 0.373 . . . . 0.0 110.06 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 16.5 mt -57.51 -33.59 68.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.857 179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.0 ttp180 -66.45 -50.32 63.74 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.43 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 34.4 mt-30 -62.06 -33.84 75.15 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.455 179.698 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 8.3 tm-20 -66.2 -47.2 74.67 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.687 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 71.7 t80 -49.55 -35.77 21.5 Favored 'General case' 0 CA--C 1.529 0.147 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.187 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 33.5 mt -58.94 -52.64 64.87 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.769 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 41.1 tttm -61.95 -28.26 69.41 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 179.683 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -85.46 5.48 83.26 Favored Glycine 0 CA--C 1.529 0.932 0 N-CA-C 111.267 -0.733 . . . . 0.0 111.267 179.73 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 19.9 t80 -172.93 98.17 0.13 Allowed 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.771 0.286 . . . . 0.0 110.988 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 . . . . . 0 N--CA 1.467 0.384 0 CA-C-N 115.811 -0.631 . . . . 0.0 111.184 179.662 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.609 0 N-CA-C 109.547 -0.538 . . . . 0.0 109.547 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 96.9 mt 55.48 94.39 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.585 -179.876 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 p -142.98 72.08 1.36 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.26 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -138.32 -154.34 0.53 Allowed 'General case' 0 CA--C 1.53 0.201 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.671 -179.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -59.66 -13.58 10.31 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.277 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 38.0 mtpt -67.53 -42.77 82.21 Favored 'General case' 0 C--O 1.233 0.214 0 CA-C-O 120.745 0.307 . . . . 0.0 110.241 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 27.1 mm -56.68 -46.39 82.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 N-CA-C 109.695 -0.483 . . . . 0.0 109.695 179.134 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.596 ' HA ' ' ND2' ' A' ' 11' ' ' ASN . . . -58.88 -37.92 77.65 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.252 179.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.6 ttm180 -58.55 -48.51 80.65 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.228 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.449 HD11 ' CZ ' ' A' ' 37' ' ' TYR . 77.3 mt -52.09 -61.45 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.421 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.596 ' ND2' ' HA ' ' A' ' 8' ' ' ALA . 1.5 p30 -62.48 -38.11 88.57 Favored 'General case' 0 CA--C 1.531 0.241 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.294 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 40.3 tt0 -61.33 -59.07 5.85 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.736 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.1 -36.12 72.42 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.553 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.24 -63.66 1.09 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.452 179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.87 -33.69 75.8 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.756 179.721 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 28.8 tptt -60.45 -58.5 8.21 Favored 'General case' 0 CA--C 1.52 -0.184 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.86 -21.61 61.21 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.063 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 8.1 ttpt -78.62 -69.55 0.56 Allowed 'General case' 0 N--CA 1.462 0.171 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.143 -179.725 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.53 -4.93 39.88 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.131 -179.408 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.58 -68.16 0.84 Allowed Glycine 0 CA--C 1.524 0.604 0 N-CA-C 111.074 -0.811 . . . . 0.0 111.074 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.6 p -172.75 99.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--O 1.232 0.168 0 CA-C-O 121.019 0.438 . . . . 0.0 110.111 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.3 tp -91.06 146.16 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.103 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -173.44 163.95 4.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.345 -179.619 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -47.5 -33.29 6.11 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.872 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -59.12 -66.7 0.46 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.616 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.12 -44.37 92.44 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.609 -179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 ttmt -53.01 -45.53 67.96 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.72 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.22 -41.93 97.72 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.53 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -56.21 -59.22 5.26 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.443 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -51.26 -41.22 60.23 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.825 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.9 tt0 -57.6 -38.99 75.85 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 65.3 tttt -59.74 -62.18 2.06 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.456 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 5.0 mt -55.93 -39.82 72.23 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.029 179.703 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.558 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 38.8 ttm105 -61.76 -41.25 97.45 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.064 -0.516 . . . . 0.0 109.977 179.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 39.2 tp60 -59.56 -30.12 68.41 Favored 'General case' 0 C--N 1.331 -0.196 0 N-CA-C 109.525 -0.546 . . . . 0.0 109.525 179.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -64.07 -64.25 0.94 Allowed 'General case' 0 C--O 1.235 0.333 0 CA-C-N 115.863 -0.608 . . . . 0.0 109.83 179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.558 ' CD2' ' HA ' ' A' ' 34' ' ' ARG . 0.2 OUTLIER -55.2 -58.82 6.14 Favored 'General case' 0 CA--C 1.52 -0.174 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.373 179.529 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 41' ' ' PHE . 3.6 mm? -53.57 -32.89 52.74 Favored 'General case' 0 C--O 1.232 0.154 0 CA-C-N 115.834 -0.621 . . . . 0.0 111.619 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.7 tttm -58.06 -43.03 86.69 Favored 'General case' 0 CA--C 1.518 -0.251 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.037 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.487 ' O ' ' CB ' ' A' ' 41' ' ' PHE . . . -91.13 -9.06 64.03 Favored Glycine 0 CA--C 1.529 0.945 0 N-CA-C 109.331 -1.508 . . . . 0.0 109.331 177.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.506 ' N ' ' O ' ' A' ' 37' ' ' TYR . 3.4 t80 90.23 -161.01 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 C-N-CA 123.007 0.523 . . . . 0.0 110.41 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 89.1 mtt-85 . . . . . 0 N--CA 1.464 0.254 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.958 179.793 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.516 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.8 mpp? . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 3.5 mm -128.04 -30.16 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.281 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.415 ' C ' HD22 ' A' ' 4' ' ' ASN . 89.1 p -89.66 92.51 9.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.353 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.517 ' N ' HD22 ' A' ' 4' ' ' ASN . 0.1 OUTLIER -173.55 -118.91 0.0 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.315 -179.726 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.425 ' H ' ' CG ' ' A' ' 4' ' ' ASN . . . -69.44 -20.39 63.78 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-O 120.771 0.32 . . . . 0.0 110.426 179.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -66.61 -38.31 86.7 Favored 'General case' 0 C--N 1.331 -0.213 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 179.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 20.6 mt -57.22 -47.06 84.87 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.121 0 CA-C-N 116.097 -0.501 . . . . 0.0 109.834 178.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.24 -42.54 81.68 Favored 'General case' 0 C--N 1.333 -0.132 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.289 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.2 tpt180 -59.97 -63.58 1.25 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.026 179.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 6.2 mm -51.32 -51.59 23.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.753 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 13.8 t30 -59.96 -58.17 9.71 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.466 -179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -58.27 -51.81 68.23 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.232 -179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.492 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.3 tt -58.12 -52.52 65.18 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.664 0.268 . . . . 0.0 110.629 -179.605 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.46 -58.96 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.915 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.87 -35.33 74.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.124 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 23.5 ttpt -62.6 -67.11 0.45 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.133 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.37 -26.15 60.58 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.36 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 24.6 tptt -78.53 -35.99 45.45 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.62 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.02 -23.1 58.13 Favored 'General case' 0 C--O 1.234 0.268 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.338 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.7 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.5 -76.96 1.25 Allowed Glycine 0 CA--C 1.525 0.703 0 C-N-CA 120.856 -0.687 . . . . 0.0 111.393 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.7 HG13 ' O ' ' A' ' 20' ' ' GLY . 1.8 m -165.13 87.88 0.01 OUTLIER 'Isoleucine or valine' 0 C--O 1.233 0.224 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 10.5 tt -69.58 165.42 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.076 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -165.97 164.88 18.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.543 -179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 56.9 mm-40 -49.86 -31.18 11.42 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.85 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -58.12 -61.49 2.52 Favored 'General case' 0 C--O 1.234 0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.371 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.15 -44.92 95.55 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.858 179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.67 -39.11 70.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.698 179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.47 -47.35 86.49 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.682 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -57.7 -65.42 0.64 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.397 179.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -51.74 -20.53 2.18 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.763 -179.455 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -53.23 -42.7 66.67 Favored 'General case' 0 C--N 1.332 -0.152 0 CA-C-O 120.657 0.265 . . . . 0.0 110.998 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 16.0 ttmm -59.93 -64.23 1.02 Allowed 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 12.7 mt -56.06 -41.16 74.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.733 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 49.4 ttt180 -64.45 -39.16 93.3 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.017 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -59.6 -53.74 54.6 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.095 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 tt0 -65.53 -40.13 92.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.635 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' PHE . 56.2 t80 -54.74 -53.37 55.9 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.584 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -59.15 -29.0 67.09 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.063 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 28.2 ttpt -65.53 -63.82 1.01 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.709 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.51 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -81.51 -6.78 88.91 Favored Glycine 0 CA--C 1.527 0.802 0 N-CA-C 111.502 -0.639 . . . . 0.0 111.502 -179.634 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.51 ' C ' ' O ' ' A' ' 40' ' ' GLY . 24.9 t80 21.91 65.52 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.495 0 CA-C-O 120.978 0.418 . . . . 0.0 111.211 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.5 ttm180 . . . . . 0 C--O 1.233 0.215 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.081 -179.206 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.5 mmt . . . . . 0 N--CA 1.492 1.65 0 N-CA-C 109.055 -0.721 . . . . 0.0 109.055 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.525 HG22 ' H ' ' A' ' 3' ' ' SER . 13.7 mt -98.84 -131.69 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.226 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.525 ' H ' HG22 ' A' ' 2' ' ' ILE . 0.7 OUTLIER 59.7 3.56 0.46 Allowed 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.74 0.305 . . . . 0.0 110.77 -179.886 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.556 ' ND2' ' H ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -76.96 -166.14 0.65 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.746 -179.872 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -54.95 -12.3 0.8 Allowed 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.329 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.461 ' HB2' ' ND2' ' A' ' 4' ' ' ASN . 32.5 mmtm -66.87 -56.25 11.14 Favored 'General case' 0 C--O 1.231 0.092 0 N-CA-C 110.23 -0.285 . . . . 0.0 110.23 179.785 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 35.4 mm -57.1 -49.46 79.51 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.125 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.378 179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.58 -38.39 69.31 Favored 'General case' 0 N--CA 1.462 0.166 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.882 -179.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 32.0 ttt-85 -61.14 -75.49 0.07 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.849 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 61.8 mt -52.11 -37.22 21.67 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.312 -179.538 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 14.5 t30 -58.0 -64.09 1.03 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.507 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -59.82 -30.62 69.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.941 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.47 HD23 ' C ' ' A' ' 13' ' ' LEU . 2.7 tt -60.34 -61.21 2.76 Favored 'General case' 0 C--O 1.232 0.132 0 CA-C-O 120.652 0.263 . . . . 0.0 110.438 179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.79 -48.92 69.34 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.752 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.42 -42.48 98.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.331 -179.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -62.9 -59.58 4.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.965 0.412 . . . . 0.0 110.186 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.71 -23.08 49.89 Favored 'General case' 0 N--CA 1.454 -0.257 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.272 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -81.49 -45.19 16.33 Favored 'General case' 0 N--CA 1.463 0.192 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.98 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -75.26 -15.25 60.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.766 -179.172 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.836 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.87 -77.11 1.25 Allowed Glycine 0 CA--C 1.525 0.694 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.326 -179.85 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.836 HG13 ' O ' ' A' ' 20' ' ' GLY . 0.2 OUTLIER -175.04 88.92 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 179.891 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.5 tt -68.84 160.43 4.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.987 -179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.41 153.24 40.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.379 -179.724 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -50.72 -32.68 20.22 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.105 179.5 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -60.29 -55.33 34.97 Favored 'General case' 0 C--O 1.233 0.232 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.458 179.506 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 30' ' ' GLN . 3.2 mp0 -62.71 -40.49 97.32 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.534 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.9 mttm -53.14 -44.82 68.04 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.384 179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.16 -41.62 98.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.448 179.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -56.87 -55.8 29.74 Favored 'General case' 0 CA--C 1.53 0.173 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.925 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.402 ' HG3' ' O ' ' A' ' 26' ' ' GLU . 10.6 mt-30 -51.09 -43.73 61.11 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-O 120.708 0.289 . . . . 0.0 110.662 -179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -59.53 -40.99 88.98 Favored 'General case' 0 C--N 1.334 -0.103 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.47 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.4 tttp -61.02 -54.15 48.38 Favored 'General case' 0 C--N 1.333 -0.12 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.725 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 14.0 mt -54.75 -49.24 71.3 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.637 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -62.2 -44.73 95.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.539 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 8.8 tt0 -60.74 -40.51 92.66 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.588 -179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 79.7 mt-10 -65.36 -42.44 92.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.403 179.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -54.08 -45.8 71.86 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.024 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 50.9 mt -59.25 -46.95 87.13 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.521 -179.861 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 20.0 tptt -65.02 -30.4 71.37 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.114 179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.54 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . -87.01 -2.04 84.17 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.54 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 75.2 m-85 -165.78 74.91 0.21 Allowed 'General case' 0 C--O 1.234 0.243 0 N-CA-C 109.783 -0.451 . . . . 0.0 109.783 -179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 0.0 109.948 179.908 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.9 tpt . . . . . 0 N--CA 1.49 1.573 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.438 ' C ' ' H ' ' A' ' 4' ' ' ASN . 13.2 tt -103.6 -12.77 8.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.377 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.469 ' C ' ' H ' ' A' ' 5' ' ' ALA . 1.4 m 75.03 -34.66 0.27 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.9 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.438 ' H ' ' C ' ' A' ' 2' ' ' ILE . 2.5 t-20 73.88 -27.7 0.19 Allowed 'General case' 0 C--O 1.232 0.182 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.939 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.469 ' H ' ' C ' ' A' ' 3' ' ' SER . . . -60.41 -19.45 56.09 Favored 'General case' 0 C--O 1.232 0.179 0 CA-C-N 116.471 -0.331 . . . . 0.0 110.167 179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 51.1 mttp -68.9 -45.2 71.49 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.967 179.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 26.1 mm -56.41 -56.71 12.16 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.283 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -55.93 -36.07 67.34 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.029 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 36.2 ttm180 -60.98 -76.15 0.06 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.789 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 96.7 mt -52.9 -34.44 20.48 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.034 -179.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -58.48 -58.68 7.46 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.461 -0.336 . . . . 0.0 110.656 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -59.45 -47.09 86.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.1 mt -60.29 -51.9 67.58 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.714 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -55.84 -36.33 67.41 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.545 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 19' ' ' ALA . . . -61.71 -40.01 93.55 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.69 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.9 tptm -63.37 -55.07 27.43 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.155 0.502 . . . . 0.0 109.777 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.19 -27.38 61.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.421 179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 mttp -84.43 -29.78 25.85 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.24 178.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 15' ' ' ALA . . . -74.61 -75.26 0.17 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.379 179.685 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.45 ' C ' HG12 ' A' ' 21' ' ' VAL . . . -101.23 -77.13 1.24 Allowed Glycine 0 CA--C 1.523 0.547 0 N-CA-C 111.182 -0.767 . . . . 0.0 111.182 -179.734 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.45 HG12 ' C ' ' A' ' 20' ' ' GLY . 2.1 p 162.2 97.21 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.26 0 N-CA-C 109.862 -0.421 . . . . 0.0 109.862 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 45.5 pt -58.52 -170.28 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.254 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.783 179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 25.9 m -95.42 147.05 23.94 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.7 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 17.6 tp10 -51.82 -42.21 62.35 Favored 'General case' 0 C--O 1.232 0.166 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.515 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 24.5 tt0 -58.18 -50.96 71.71 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.18 179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.5 tp10 -61.76 -41.89 98.27 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.089 -0.505 . . . . 0.0 109.65 179.395 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.6 ttmt -56.39 -39.31 72.76 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.774 179.014 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.6 -42.1 91.8 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.692 179.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -57.29 -50.55 72.55 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.011 179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -50.92 -38.86 52.64 Favored 'General case' 0 C--O 1.232 0.146 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.789 179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.3 tt0 -56.63 -41.11 76.57 Favored 'General case' 0 C--O 1.232 0.177 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.448 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 28.0 tttt -59.74 -55.64 31.85 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.461 179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.1 mt -56.58 -52.82 63.38 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.713 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 12.6 ttm180 -51.67 -49.45 62.34 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.98 -37.21 83.95 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.79 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 31.7 tp10 -64.82 -41.95 95.37 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.723 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.4 t80 -52.9 -44.3 66.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD13 ' HA ' ' A' ' 38' ' ' LEU . 4.1 mm? -58.89 -39.14 80.55 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.302 179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 23.0 tptt -64.63 -26.78 68.54 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.202 179.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.493 ' O ' ' CG ' ' A' ' 41' ' ' PHE . . . -81.09 6.12 64.23 Favored Glycine 0 CA--C 1.528 0.869 0 N-CA-C 111.437 -0.665 . . . . 0.0 111.437 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.493 ' CG ' ' O ' ' A' ' 40' ' ' GLY . 26.2 m-85 -167.25 91.92 0.4 Allowed 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.646 0.26 . . . . 0.0 110.526 -179.635 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.464 0.275 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.092 179.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.424 ' SD ' ' N ' ' A' ' 1' ' ' MET . 2.6 mpt? . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 4.1 tp -67.06 136.74 26.15 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.371 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.7 p -158.74 73.06 0.61 Allowed 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.06 0.457 . . . . 0.0 110.649 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.506 ' N ' HD22 ' A' ' 4' ' ' ASN . 0.0 OUTLIER -150.74 -146.93 0.21 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.609 179.833 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -53.51 -18.86 3.1 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.352 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . 0.495 ' CG ' HD21 ' A' ' 4' ' ' ASN . 26.6 mmtm -67.4 -42.22 83.65 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.805 0.336 . . . . 0.0 110.49 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 40.7 mm -55.33 -51.03 60.49 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.35 179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.503 ' O ' ' ND2' ' A' ' 11' ' ' ASN . . . -59.29 -36.86 76.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.89 -179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 7.0 tmm_? -61.69 -53.98 48.87 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.916 0.389 . . . . 0.0 110.661 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 51.3 mt -55.14 -60.85 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.879 -0.6 . . . . 0.0 111.738 -179.436 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.503 ' ND2' ' O ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -58.35 -29.96 66.38 Favored 'General case' 0 C--O 1.234 0.267 0 N-CA-C 111.98 0.363 . . . . 0.0 111.98 -178.543 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -60.4 -66.65 0.49 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.947 -0.301 . . . . 0.0 110.567 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.5 pp -61.09 -26.25 67.52 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.109 -179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -56.06 -70.94 0.1 Allowed 'General case' 0 N--CA 1.462 0.165 0 CA-C-N 116.485 -0.325 . . . . 0.0 111.302 -179.595 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.76 -36.98 82.6 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.523 -0.308 . . . . 0.0 111.596 -179.266 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.2 mttp -61.66 -61.54 2.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.303 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.77 -18.24 30.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.159 179.455 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.84 -67.62 0.47 Allowed 'General case' 0 C--N 1.333 -0.129 0 C-N-CA 120.653 -0.419 . . . . 0.0 110.013 179.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -76.42 -5.15 46.06 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.611 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.37 -75.49 1.17 Allowed Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.746 -0.942 . . . . 0.0 110.746 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.1 p -172.56 100.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.948 0.404 . . . . 0.0 110.2 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.482 ' O ' HG23 ' A' ' 22' ' ' ILE . 7.0 tp -85.46 118.38 32.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.268 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.8 m -107.42 144.91 33.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.255 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -48.84 -30.7 6.08 Favored 'General case' 0 N--CA 1.463 0.213 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.54 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -59.86 -65.49 0.67 Allowed 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.36 179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -65.73 -40.07 91.8 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.227 179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.3 tttp -53.76 -42.69 68.49 Favored 'General case' 0 C--O 1.232 0.158 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 179.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -64.14 -39.16 93.42 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.933 -0.576 . . . . 0.0 109.863 178.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -57.75 -69.53 0.17 Allowed 'General case' 0 C--O 1.232 0.155 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.715 179.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.45 -40.38 36.7 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -57.11 -43.44 82.29 Favored 'General case' 0 N--CA 1.462 0.17 0 CA-C-O 120.876 0.37 . . . . 0.0 110.244 179.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.7 ttpt -60.48 -63.06 1.43 Allowed 'General case' 0 C--N 1.332 -0.163 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.267 179.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 72.0 mt -55.41 -39.66 70.47 Favored 'General case' 0 N--CA 1.462 0.147 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.713 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.6 ttt85 -57.36 -49.81 74.97 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.554 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 41.7 tt0 -60.54 -44.24 96.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.917 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -65.96 -48.86 69.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.921 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -50.97 -41.62 59.56 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.787 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -58.26 -40.9 83.02 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.47 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 14.5 mmtp -65.13 -33.32 75.74 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.185 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.98 5.13 68.57 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.165 -0.774 . . . . 0.0 111.165 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -174.56 79.18 0.03 OUTLIER 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.838 0.352 . . . . 0.0 110.331 -179.597 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.225 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.3 ptt? . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.739 HG22 ' H ' ' A' ' 4' ' ' ASN . 70.6 mt -96.93 111.62 27.26 Favored 'Isoleucine or valine' 0 C--O 1.232 0.18 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.76 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.1 t -85.21 22.49 1.46 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.999 -0.546 . . . . 0.0 109.933 179.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.739 ' H ' HG22 ' A' ' 2' ' ' ILE . 1.1 m120 59.03 23.37 11.51 Favored 'General case' 0 C--O 1.233 0.216 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.485 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -78.35 -30.5 48.07 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.83 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 42.3 tttp -69.23 -57.23 5.62 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.541 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 70.4 mt -54.56 -46.78 72.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.166 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.174 179.616 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.47 -43.97 72.18 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.262 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 13.3 ttt85 -62.13 -47.45 84.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.388 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 75.2 mt -56.59 -62.7 0.79 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.283 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.989 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.448 HD22 ' N ' ' A' ' 12' ' ' GLU . 0.5 OUTLIER -59.3 -28.97 67.26 Favored 'General case' 0 N--CA 1.463 0.19 0 C-N-CA 120.956 -0.297 . . . . 0.0 111.614 -178.779 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' N ' HD22 ' A' ' 11' ' ' ASN . 88.0 tt0 -60.02 -49.06 79.14 Favored 'General case' 0 C--O 1.235 0.337 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 179.532 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mt -61.1 -52.32 65.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.444 179.326 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -57.53 -36.16 71.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.797 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -59.33 -41.76 89.88 Favored 'General case' 0 C--O 1.231 0.122 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.272 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.7 mtmm -61.5 -51.94 66.56 Favored 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 178.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.55 -17.21 19.72 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.531 -0.759 . . . . 0.0 109.756 178.615 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 6.4 tmtt? -88.83 -48.31 7.57 Favored 'General case' 0 C--O 1.232 0.139 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.237 179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -71.23 -49.33 44.44 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.923 -179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -83.5 -76.93 1.13 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 111.301 -0.72 . . . . 0.0 111.301 -179.625 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.582 ' O ' HG22 ' A' ' 22' ' ' ILE . 1.6 p 176.97 -44.29 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.462 0.162 0 C-N-CA 121.342 -0.143 . . . . 0.0 110.712 -179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.582 HG22 ' O ' ' A' ' 21' ' ' VAL . 12.2 tt 118.86 165.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 O-C-N 124.462 1.101 . . . . 0.0 110.185 -179.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 64.5 p -141.36 153.29 45.01 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.051 179.646 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 20.3 tp10 -49.09 -41.84 36.96 Favored 'General case' 0 C--O 1.233 0.204 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.477 179.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -61.07 -49.5 77.1 Favored 'General case' 0 C--O 1.232 0.178 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.722 179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 74.0 mt-10 -62.74 -39.46 94.19 Favored 'General case' 0 N--CA 1.462 0.132 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.572 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.9 tppt? -52.04 -50.63 61.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.644 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.66 -45.82 91.04 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.656 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -57.31 -54.57 45.35 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.973 -179.764 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -47.75 -50.61 24.99 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.762 -179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -59.38 -37.69 78.6 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.682 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.9 ttmt -59.19 -58.09 10.17 Favored 'General case' 0 C--N 1.333 -0.139 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.633 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 15.5 mt -56.51 -37.51 70.53 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.704 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 5.8 mmm180 -66.03 -39.36 90.11 Favored 'General case' 0 C--O 1.232 0.141 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.685 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? -60.95 -50.24 74.18 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.306 -0.406 . . . . 0.0 109.908 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -65.17 -37.74 88.32 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.868 -0.606 . . . . 0.0 110.331 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.1 t80 -52.77 -54.65 30.97 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.65 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 38' ' ' LEU . 3.4 mm? -59.85 -38.53 82.38 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.539 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 36.7 tttp -65.36 -34.42 78.27 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.306 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.27 4.6 71.21 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 110.901 -0.88 . . . . 0.0 110.901 179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -173.93 95.44 0.1 Allowed 'General case' 0 C--O 1.232 0.158 0 CA-C-O 120.874 0.368 . . . . 0.0 110.453 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.6 mtm180 . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.368 -179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.602 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 109.455 -0.572 . . . . 0.0 109.455 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 37.8 mt -125.83 -50.19 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.981 179.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 77.1 p 47.79 21.64 0.29 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 115.905 -0.588 . . . . 0.0 111.209 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.524 ' N ' HD22 ' A' ' 4' ' ' ASN . 1.6 m120 53.86 18.01 1.48 Allowed 'General case' 0 CA--C 1.53 0.185 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.572 -179.709 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -76.78 -34.42 58.0 Favored 'General case' 0 C--N 1.333 -0.151 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.934 -179.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 30.0 tttm -67.49 -52.86 34.13 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.113 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.565 HD12 ' H ' ' A' ' 7' ' ' ILE . 2.7 mp -56.15 -52.63 48.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.303 179.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.5 -45.01 73.2 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.345 -179.567 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 47.4 ttt180 -60.47 -75.05 0.07 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.765 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 65.9 mt -49.45 -38.94 13.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.236 -179.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.429 ' CB ' ' O ' ' A' ' 7' ' ' ILE . 30.1 t30 -59.95 -54.08 50.34 Favored 'General case' 0 N--CA 1.463 0.192 0 C-N-CA 121.017 -0.273 . . . . 0.0 110.662 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 57.5 tt0 -58.34 -52.41 65.71 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.74 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.531 HD23 ' O ' ' A' ' 13' ' ' LEU . 2.3 tt -60.0 -54.44 46.03 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.751 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.47 -57.08 11.95 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.81 -179.736 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.83 -37.7 85.42 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.892 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 20.4 ttpp -61.32 -62.61 1.71 Allowed 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 109.666 -0.494 . . . . 0.0 109.666 179.526 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.78 -18.93 24.64 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.214 179.326 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -75.74 -63.43 1.3 Allowed 'General case' 0 C--N 1.332 -0.169 0 C-N-CA 120.514 -0.474 . . . . 0.0 110.328 179.656 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.83 -6.72 48.79 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.476 179.552 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.52 -70.64 0.92 Allowed Glycine 0 CA--C 1.524 0.601 0 N-CA-C 110.501 -1.04 . . . . 0.0 110.501 179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 2.0 p -174.12 100.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.933 0.397 . . . . 0.0 110.146 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 2.5 tp -92.32 136.24 25.22 Favored 'Isoleucine or valine' 0 C--O 1.234 0.24 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.828 -179.295 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.9 p -139.18 161.29 37.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.796 -0.638 . . . . 0.0 109.977 179.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -50.7 -35.42 31.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.438 179.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -59.75 -47.47 85.56 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.744 179.732 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 42.3 mm-40 -61.73 -53.8 51.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.064 -0.517 . . . . 0.0 110.447 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 mtmt -52.8 -37.67 60.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.16 -49.63 76.89 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.291 179.633 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -57.48 -57.24 13.53 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.867 -0.606 . . . . 0.0 110.65 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -50.62 -45.25 57.5 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.985 -179.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -57.63 -37.73 73.81 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.687 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -59.93 -50.98 71.64 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.296 179.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 95.9 mt -56.2 -62.04 1.99 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.101 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.452 HH11 ' HD2' ' A' ' 34' ' ' ARG . 35.5 mtt85 -46.47 -52.13 13.81 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.16 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.7 mt-30 -62.0 -46.17 90.37 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.676 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -64.47 -40.11 95.09 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.903 -0.59 . . . . 0.0 111.148 -179.508 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 21.8 t80 -55.86 -60.29 3.67 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.769 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.33 -41.4 84.52 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.588 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 34.2 mtmt -64.91 -50.81 65.06 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.703 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.516 ' O ' ' C ' ' A' ' 41' ' ' PHE . . . -44.63 -70.48 0.59 Allowed Glycine 0 CA--C 1.521 0.449 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 -179.672 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . 0.516 ' C ' ' O ' ' A' ' 40' ' ' GLY . 46.1 t80 20.56 60.68 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.415 0 CA-C-O 121.055 0.455 . . . . 0.0 111.183 179.762 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 56.2 ttt180 . . . . . 0 C--N 1.331 -0.222 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.634 -179.348 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.8 mpt? . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.181 -0.674 . . . . 0.0 109.181 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.0 tt -73.69 155.54 6.75 Favored 'Isoleucine or valine' 0 C--O 1.233 0.223 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.307 179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 p -108.39 58.35 0.61 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.495 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 48.8 m-80 -146.4 -93.75 0.09 Allowed 'General case' 0 C--O 1.232 0.172 0 CA-C-N 115.901 -0.591 . . . . 0.0 110.616 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -49.43 -26.06 3.01 Favored 'General case' 0 C--O 1.233 0.221 0 CA-C-O 121.124 0.487 . . . . 0.0 110.239 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 52.2 tttt -69.61 -49.56 52.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.339 179.702 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 68.7 mt -54.07 -48.87 64.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.162 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.077 179.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.56 -39.0 72.71 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.344 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 8.6 ttm180 -62.34 -75.22 0.08 Allowed 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.507 179.589 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 79.9 mt -46.55 -42.27 5.29 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.298 0 CA-C-O 120.716 0.293 . . . . 0.0 110.684 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.8 t30 -59.44 -66.62 0.48 Allowed 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.537 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.36 -41.73 94.29 Favored 'General case' 0 CA--C 1.531 0.227 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.244 -179.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.565 HD23 ' O ' ' A' ' 13' ' ' LEU . 3.8 tt -57.55 -56.7 18.55 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.91 -179.639 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.427 ' CA ' HE22 ' A' ' 30' ' ' GLN . . . -52.19 -52.58 51.27 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 -179.684 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -62.4 -41.08 98.4 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.322 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.5 ttpt -64.34 -62.67 1.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.825 -179.763 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.14 -20.26 16.84 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.262 179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 39.5 mttt -75.25 -68.39 0.56 Allowed 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.543 179.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.95 -4.0 35.59 Favored 'General case' 0 CA--C 1.531 0.214 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.65 -75.89 1.15 Allowed Glycine 0 CA--C 1.522 0.494 0 N-CA-C 110.619 -0.992 . . . . 0.0 110.619 179.638 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 1.5 p 176.74 100.49 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.531 0.231 0 CA-C-O 120.993 0.425 . . . . 0.0 110.65 179.579 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 9.7 tt -94.83 137.29 23.6 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.342 179.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.3 p -115.75 171.67 7.61 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.705 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -50.77 -44.83 58.81 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.78 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -58.16 -54.69 44.09 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.642 179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -62.71 -53.07 60.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.978 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tmtt? -53.08 -48.69 67.55 Favored 'General case' 0 C--O 1.233 0.225 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.003 -179.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.01 81.86 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.662 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -59.3 -63.79 1.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.531 179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.427 HE22 ' CA ' ' A' ' 14' ' ' ALA . 2.1 mt-30 -49.5 -26.99 3.82 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.076 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 5.1 tt0 -55.35 -54.48 43.14 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.171 -179.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 40.4 tttp -59.76 -60.99 2.95 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.407 -179.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.0 mt -53.52 -64.43 0.82 Allowed 'General case' 0 C--N 1.331 -0.198 0 C-N-CA 121.013 -0.275 . . . . 0.0 111.076 -179.403 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 51.0 ttp85 -47.42 -42.26 21.82 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 116.654 -0.248 . . . . 0.0 111.181 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -61.54 -59.59 4.99 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.528 -0.305 . . . . 0.0 110.411 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' A' ' 40' ' ' GLY . 36.2 mm-40 -62.19 -37.65 86.13 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 15.5 t80 -56.8 -65.68 0.57 Allowed 'General case' 0 C--O 1.223 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.841 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -59.78 -43.17 94.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.935 0.398 . . . . 0.0 110.679 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 60.7 tttm -65.99 -25.74 67.23 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.418 -179.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 36' ' ' GLU . . . -100.38 -43.9 2.27 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.402 -0.679 . . . . 0.0 111.402 -179.697 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -65.86 74.62 0.07 Allowed 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.87 0.366 . . . . 0.0 110.09 179.618 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 31.9 mtp180 . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.522 -179.422 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 78.6 mmm . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.106 -0.702 . . . . 0.0 109.106 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 19.6 tt -69.58 159.28 5.57 Favored 'Isoleucine or valine' 0 C--O 1.232 0.151 0 CA-C-O 120.777 0.322 . . . . 0.0 110.502 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.0 p -155.42 109.09 2.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.42 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -152.09 -153.36 0.48 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.052 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -46.17 -22.68 0.25 Allowed 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.253 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 63.0 mttt -68.97 -72.9 0.16 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.936 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.476 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.4 mp -56.04 -38.9 55.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.529 -179.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.32 -45.19 80.41 Favored 'General case' 0 C--N 1.332 -0.155 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.538 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -60.48 -69.01 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.613 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.414 ' H ' HG23 ' A' ' 10' ' ' ILE . 2.0 pt -53.41 -36.3 26.8 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.321 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.209 -179.286 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 17.4 t30 -61.95 -62.02 2.08 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-O 120.784 0.326 . . . . 0.0 110.34 179.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tm-20 -57.19 -48.06 79.69 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.438 -179.794 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.435 HD23 ' O ' ' A' ' 13' ' ' LEU . 0.7 OUTLIER -56.99 -51.59 68.65 Favored 'General case' 0 C--N 1.334 -0.104 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.142 179.755 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -54.66 -56.12 22.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.833 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -61.63 -41.35 97.37 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.808 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 20' ' ' GLY . 51.3 tttm -64.18 -60.84 2.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.397 179.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.11 -16.28 7.29 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.135 179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 55.6 tttp -83.37 -67.49 0.79 Allowed 'General case' 0 C--O 1.232 0.145 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.186 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -74.52 -1.8 22.97 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.622 179.588 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.611 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -101.39 -76.34 1.19 Allowed Glycine 0 CA--C 1.526 0.743 0 N-CA-C 111.256 -0.738 . . . . 0.0 111.256 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.611 HG13 ' O ' ' A' ' 20' ' ' GLY . 2.7 m -161.34 91.75 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.809 0.338 . . . . 0.0 110.458 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.417 ' O ' HG23 ' A' ' 22' ' ' ILE . 3.4 tp -82.39 129.03 38.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.135 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 4.2 m -135.48 154.83 51.29 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.667 -179.53 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.45 ' CG ' ' N ' ' A' ' 25' ' ' GLU . 10.6 pt-20 -45.75 -40.28 9.28 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.345 -179.614 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.45 ' N ' ' CG ' ' A' ' 24' ' ' GLU . 23.3 mt-10 -59.05 -55.78 30.74 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.659 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -64.35 -38.51 91.27 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 179.437 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.1 tppp? -53.13 -44.56 67.82 Favored 'General case' 0 C--O 1.232 0.145 0 CA-C-N 115.978 -0.556 . . . . 0.0 110.169 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.32 -50.84 72.04 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.87 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.515 ' OE2' HD21 ' A' ' 33' ' ' LEU . 2.5 tm-20 -57.89 -67.38 0.34 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.838 -0.619 . . . . 0.0 110.852 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -50.21 -21.11 1.21 Allowed 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 115.657 -0.702 . . . . 0.0 112.139 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 42.2 tt0 -56.24 -46.9 79.39 Favored 'General case' 0 N--CA 1.466 0.345 0 C-N-CA 121.204 -0.198 . . . . 0.0 111.405 -179.341 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -59.65 -68.43 0.28 Allowed 'General case' 0 N--CA 1.463 0.212 0 CA-C-O 120.875 0.369 . . . . 0.0 110.859 -179.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.613 ' H ' ' CD2' ' A' ' 33' ' ' LEU . 0.0 OUTLIER -50.37 -39.57 46.94 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.498 -179.76 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 35.7 ttp85 -61.55 -46.14 91.18 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.017 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -58.77 -29.96 67.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.371 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.97 -58.46 6.66 Favored 'General case' 0 C--O 1.232 0.179 0 N-CA-C 109.844 -0.428 . . . . 0.0 109.844 179.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 6.6 t80 -51.73 -54.19 31.2 Favored 'General case' 0 CA--C 1.53 0.175 0 CA-C-N 116.068 -0.514 . . . . 0.0 111.177 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 39.6 mt -57.42 -54.67 44.21 Favored 'General case' 0 N--CA 1.464 0.268 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.183 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -63.83 -12.12 33.23 Favored 'General case' 0 C--N 1.332 -0.164 0 C-N-CA 120.681 -0.408 . . . . 0.0 110.092 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -94.19 -10.82 58.09 Favored Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.77 -0.932 . . . . 0.0 110.77 179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 5.8 t80 -59.08 150.51 24.79 Favored 'General case' 0 C--O 1.232 0.141 0 N-CA-C 110.114 -0.328 . . . . 0.0 110.114 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 1.4 mmp_? . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.795 -179.573 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.7 mtt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.824 HD12 ' H ' ' A' ' 3' ' ' SER . 0.7 OUTLIER -144.34 -37.78 0.14 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.33 179.433 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.824 ' H ' HD12 ' A' ' 2' ' ' ILE . 7.0 t 59.59 2.05 0.32 Allowed 'General case' 0 N--CA 1.464 0.238 0 CA-C-O 120.987 0.422 . . . . 0.0 110.512 -179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.485 ' H ' ' C ' ' A' ' 2' ' ' ILE . 81.3 m-20 -75.0 137.04 41.27 Favored 'General case' 0 C--O 1.233 0.195 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.26 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -63.25 -6.96 5.07 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 178.665 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -65.0 -56.04 15.45 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.12 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 7' ' ' ILE . 1.7 mp -57.41 -43.55 82.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 109.879 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.05 -40.22 76.38 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.523 179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 34.4 ttt180 -61.86 -74.11 0.09 Allowed 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.587 179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 67.2 mt -46.83 -39.4 4.36 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.189 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 16.8 t30 -58.67 -60.95 3.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.204 179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -61.35 -44.51 97.06 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.808 179.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.581 HD23 ' O ' ' A' ' 13' ' ' LEU . 1.7 tt -58.31 -48.53 80.21 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.7 -179.753 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -53.48 -61.46 2.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.021 -179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.15 77.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.196 -179.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.43 -66.71 0.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.859 0.361 . . . . 0.0 110.391 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.35 -20.59 44.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.848 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -85.12 -66.46 0.89 Allowed 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.662 -0.415 . . . . 0.0 111.14 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -73.46 -4.59 34.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.575 -179.23 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.68 ' O ' HG13 ' A' ' 21' ' ' VAL . . . -100.46 -76.55 1.23 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 111.229 -0.748 . . . . 0.0 111.229 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.68 HG13 ' O ' ' A' ' 20' ' ' GLY . 1.4 m -164.52 90.2 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.463 0.212 0 N-CA-C 109.908 -0.404 . . . . 0.0 109.908 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.458 ' O ' HG23 ' A' ' 22' ' ' ILE . 3.9 tp -68.03 124.11 22.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.956 0.408 . . . . 0.0 110.504 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.3 p -112.95 148.9 34.06 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.573 -179.746 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 23.9 tp10 -50.95 -41.66 59.31 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.328 179.6 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -59.66 -50.19 74.83 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.389 179.695 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.3 tp10 -62.68 -37.67 87.34 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.123 179.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.6 tptp -53.88 -45.58 71.08 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.108 179.417 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.4 -43.12 99.42 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.259 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -58.26 -62.86 1.53 Allowed 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.44 179.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -50.27 -25.93 4.24 Favored 'General case' 0 N--CA 1.462 0.141 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.431 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -54.82 -55.71 27.29 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.651 -0.249 . . . . 0.0 111.049 -179.413 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -60.55 -56.97 14.96 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.04 -179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 68.4 mt -55.0 -48.8 72.86 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.99 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 44.6 ttp85 -59.38 -42.26 91.28 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 120.837 0.351 . . . . 0.0 110.459 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 40.7 tt0 -61.2 -49.02 78.87 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.124 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -65.78 -44.95 84.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.288 179.65 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -53.64 -49.21 68.39 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.668 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -56.68 -43.98 81.0 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.087 179.819 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.8 ttmt -66.81 -35.12 79.32 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.258 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.56 5.98 66.83 Favored Glycine 0 CA--C 1.527 0.835 0 N-CA-C 111.092 -0.803 . . . . 0.0 111.092 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -62.02 -9.85 8.31 Favored 'General case' 0 CA--C 1.531 0.237 0 CA-C-O 120.677 0.275 . . . . 0.0 110.937 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.7 ptm180 . . . . . 0 C--N 1.332 -0.191 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.709 179.716 . . . . . . . . 0 0 . 1 stop_ save_